4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide

C17H26N2O4S2 — CID 7517163

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C17H26N2O4S2/c1-14-6-2-3-7-17(14)18-25(22,23)16-10-8-15(9-11-16)19-12-4-5-13-24(19,20)21/h8-11,14,17-18H,2-7,12-13H2,1H3/t14-,17-/m0/s1
InChIKeyMURRBNVQSKWHRF-YOEHRIQHSA-N
MW386.54 g/mol
LogP2.47
Rot. Bonds4

About 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 7517163) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID7517163
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C17H26N2O4S2/c1-14-6-2-3-7-17(14)18-25(22,23)16-10-8-15(9-11-16)19-12-4-5-13-24(19,20)21/h8-11,14,17-18H,2-7,12-13H2,1H3/t14-,17-/m0/s1
InChIKeyMURRBNVQSKWHRF-YOEHRIQHSA-N
XLogP2.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7517162
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
4-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyethyl)benzenesulfonamide
CID 7517083
N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
CID 110622880
4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 25420949
4-(1,1-dioxothiazinan-2-yl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 50797591
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 25044263
4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 20962759
2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 7216463

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide (CID 7517163) is 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide is C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is MURRBNVQSKWHRF-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-14-6-2-3-7-17(14)18-25(22,23)16-10-8-15(9-11-16)19-12-4-5-13-24(19,20)21/h8-11,14,17-18H,2-7,12-13H2,1H3/t14-,17-/m0/s1.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide has a molecular weight of 386.54 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 7517163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).