4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide

C23H27N3O3S — CID 149356736

IUPAC4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(-c3nccc4c3C=C(CN3CCOCC3)C4)cc2)CC1
InChIInChI=1S/C23H27N3O3S/c27-30(28)13-9-26(10-14-30)21-3-1-19(2-4-21)23-22-16-18(15-20(22)5-6-24-23)17-25-7-11-29-12-8-25/h1-6,16H,7-15,17H2
InChIKeyYHCDZOMQEAMGAW-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.26
Rot. Bonds4

About 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide

4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 149356736) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide
PubChem CID149356736
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(-c3nccc4c3C=C(CN3CCOCC3)C4)cc2)CC1
InChIInChI=1S/C23H27N3O3S/c27-30(28)13-9-26(10-14-30)21-3-1-19(2-4-21)23-22-16-18(15-20(22)5-6-24-23)17-25-7-11-29-12-8-25/h1-6,16H,7-15,17H2
InChIKeyYHCDZOMQEAMGAW-UHFFFAOYSA-N
XLogP2.26
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

4-[[1-[4-(4-methylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 159056435
4-[[1-(3-piperazin-1-ylphenyl)-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 149303077
4-[[1-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 160824501
methyl-[4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenoxy]piperidin-1-yl]borinic acid
CID 157087652
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridine-6-carbaldehyde;1-[[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5H-cyclopenta[c]pyridin-6-yl]methyl]azetidin-3-ol
CID 160653052
4-[[1-[4-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethyl-5H-cyclopenta[c]pyridin-6-yl]methyl]morpholine
CID 158913491
5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[[2-(morpholin-4-ylmethyl)pyrimidin-4-yl]amino]thiophene-3-carboxamide
CID 59525683
4-[(4-pyrrolidin-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 168512730
4-[[4-(4-imidazolidin-1-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl]morpholine
CID 123807409
[4-(4-morpholin-4-ylphenyl)-2-pyridinyl]methanamine
CID 177019277
ethyl 1-[4-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperidine-4-carboxylate
CID 118152930
carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 160755106

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide (CID 149356736) is 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2ccc(-c3nccc4c3C=C(CN3CCOCC3)C4)cc2)CC1.
What is the InChIKey of 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is YHCDZOMQEAMGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c27-30(28)13-9-26(10-14-30)21-3-1-19(2-4-21)23-22-16-18(15-20(22)5-6-24-23)17-25-7-11-29-12-8-25/h1-6,16H,7-15,17H2.
What are the key properties of 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 425.55 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(morpholin-4-ylmethyl)-5H-cyclopenta[c]pyridin-1-yl]phenyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 149356736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).