4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide

C23H31N7O3S — CID 164545791

IUPAC4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide
SMILESCc1nc(C2CCN(C3CNC3)CC2)cc2c1OCc1c(ncnc1N1CCS(=O)(=O)CC1)N2
InChIInChI=1S/C23H31N7O3S/c1-15-21-20(10-19(27-15)16-2-4-29(5-3-16)17-11-24-12-17)28-22-18(13-33-21)23(26-14-25-22)30-6-8-34(31,32)9-7-30/h10,14,16-17,24H,2-9,11-13H2,1H3,(H,25,26,28)
InChIKeyHOFZIJAAFMWERO-UHFFFAOYSA-N
MW485.61 g/mol
LogP1.20
Rot. Bonds3

About 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide

4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 164545791) has the molecular formula C23H31N7O3S and a molecular weight of 485.61 g/mol. Its IUPAC name is 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID164545791
Molecular FormulaC23H31N7O3S
Molecular Weight485.61 g/mol
Exact Mass485.22
IUPAC Name4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide
SMILESCc1nc(C2CCN(C3CNC3)CC2)cc2c1OCc1c(ncnc1N1CCS(=O)(=O)CC1)N2
InChIInChI=1S/C23H31N7O3S/c1-15-21-20(10-19(27-15)16-2-4-29(5-3-16)17-11-24-12-17)28-22-18(13-33-21)23(26-14-25-22)30-6-8-34(31,32)9-7-30/h10,14,16-17,24H,2-9,11-13H2,1H3,(H,25,26,28)
InChIKeyHOFZIJAAFMWERO-UHFFFAOYSA-N
XLogP1.20
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cdk7-IN-33
CID 164545520
1-[3-[4-[4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5,7-dimethyl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepin-9-yl]piperidin-1-yl]azetidin-1-yl]but-2-yn-1-one
CID 164545821
1-[3-[4-[(5R)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5,7-dimethyl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepin-9-yl]piperidin-1-yl]azetidin-1-yl]ethanone
CID 172875048
4-[3-[3-(Difluoromethoxy)-5-(methylsulfonylmethyl)pyridin-2-yl]-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CID 146215493
N-[4-[9-[1-(azetidin-3-yl)piperidin-4-yl]-7-methyl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepin-4-yl]-1-oxo-1,4-thiazinan-1-ylidene]-2,2,2-trifluoroacetamide
CID 164545828
(9R)-9-methyl-7-morpholin-4-yl-14-(1-piperidin-4-ylazetidin-3-yl)-12-(trifluoromethyl)-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 165115199
N-[4-[9-[4-(azetidin-3-yl)piperazin-1-yl]-7-methyl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepin-4-yl]-1-oxo-1,4-thiazinan-1-ylidene]-2,2,2-trifluoroacetamide
CID 171408510
(9S)-9-methyl-7-morpholin-4-yl-14-[1-[(3R)-pyrrolidin-3-yl]azetidin-3-yl]-12-(trifluoromethyl)-10-oxa-2,4,13-triazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 172088341
1-[3-[4-(7-Morpholin-4-yl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-14-yl)piperidin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 164545327
1-[3-[4-[(5S)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-7-ethynyl-5-methyl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepin-9-yl]piperidin-1-yl]azetidin-1-yl]but-2-yn-1-one
CID 164545346
1-[3-[4-[(5R)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5,7-dimethyl-5,11-dihydropyrimido[5,4-c][1,5]benzoxazepin-9-yl]piperidin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 164545384
1-[3-[4-[(9S)-9-methyl-7-morpholin-4-yl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-14-yl]piperidin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 164545386

Frequently Asked Questions

What is the IUPAC name of 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide (CID 164545791) is 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide is Cc1nc(C2CCN(C3CNC3)CC2)cc2c1OCc1c(ncnc1N1CCS(=O)(=O)CC1)N2.
What is the InChIKey of 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is HOFZIJAAFMWERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O3S/c1-15-21-20(10-19(27-15)16-2-4-29(5-3-16)17-11-24-12-17)28-22-18(13-33-21)23(26-14-25-22)30-6-8-34(31,32)9-7-30/h10,14,16-17,24H,2-9,11-13H2,1H3,(H,25,26,28).
What are the key properties of 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide?
4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 485.61 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[14-[1-(azetidin-3-yl)piperidin-4-yl]-12-methyl-10-oxa-2,4,6,13-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-7-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 164545791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).