(3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C19H28N2O3S — CID 164635692

IUPAC(3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESC[C@H]1CS(=O)(=O)CCN1C(=O)NCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-14-25(23,24)12-11-21(15)19(22)20-13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyYSYGWHDTBCXDKV-HNNXBMFYSA-N
MW364.51 g/mol
LogP3.06
Rot. Bonds3

About (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

(3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 164635692) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID164635692
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESC[C@H]1CS(=O)(=O)CCN1C(=O)NCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-14-25(23,24)12-11-21(15)19(22)20-13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyYSYGWHDTBCXDKV-HNNXBMFYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(4-methanesulfonyl-benzyl)-urea
CID 44392176
4-(3-fluoro-4-((1-phenyl-N-(2,2,2-trifluoroethyl)methylsulfonamido)methyl)phenyl)piperidine-1-carboxamide
CID 86690654
N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 118398395
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-phenylpiperidine-1-carboxamide
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US10793556, Example SC_4010
CID 130202904
2-[2-(methanesulfonamido)ethyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 45912577
1-(1,1-Dioxothiolan-3-yl)-3-(3,3-diphenylpropyl)urea
CID 47016194
N-[cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 51091642
N-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperidine-1-carboxamide
CID 71892974
1-Ethyl-3-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]urea
CID 71994424
N-[1-(2-chlorophenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72012390
3-[2-(2,4-Dimethylphenyl)ethyl]-1-ethyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72016645

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 164635692) is (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is C[C@H]1CS(=O)(=O)CCN1C(=O)NCc1ccc(C2CCCCC2)cc1.
What is the InChIKey of (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is YSYGWHDTBCXDKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-14-25(23,24)12-11-21(15)19(22)20-13-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
(3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-cyclohexylphenyl)methyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 164635692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).