2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide

C25H31FN2O4S — CID 118223155

IUPAC2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
SMILESCC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C25H31FN2O4S/c1-19-7-10-24(20-5-3-2-4-6-20)33(29,30)28(19)18-21-8-9-22(17-23(21)26)27-13-11-25(12-14-27)31-15-16-32-25/h2-6,8-9,17,19,24H,7,10-16,18H2,1H3
InChIKeyZRJKLYPKKDRICK-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.22
Rot. Bonds4

About 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide

2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide (PubChem CID 118223155) has the molecular formula C25H31FN2O4S and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
PubChem CID118223155
Molecular FormulaC25H31FN2O4S
Molecular Weight474.60 g/mol
Exact Mass474.20
IUPAC Name2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide
SMILESCC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C25H31FN2O4S/c1-19-7-10-24(20-5-3-2-4-6-20)33(29,30)28(19)18-21-8-9-22(17-23(21)26)27-13-11-25(12-14-27)31-15-16-32-25/h2-6,8-9,17,19,24H,7,10-16,18H2,1H3
InChIKeyZRJKLYPKKDRICK-UHFFFAOYSA-N
XLogP4.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
The IUPAC name of 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide (CID 118223155) is 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide.
What is the SMILES notation for 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
The canonical SMILES for 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide is CC1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC3(CC2)OCCO3)cc1F.
What is the InChIKey of 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
The InChIKey is ZRJKLYPKKDRICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O4S/c1-19-7-10-24(20-5-3-2-4-6-20)33(29,30)28(19)18-21-8-9-22(17-23(21)26)27-13-11-25(12-14-27)31-15-16-32-25/h2-6,8-9,17,19,24H,7,10-16,18H2,1H3.
What are the key properties of 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide?
2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide has a molecular weight of 474.60 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-fluorophenyl]methyl]-3-methyl-6-phenylthiazinane 1,1-dioxide is sourced from PubChem (CID 118223155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).