5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide

C16H26N2O2S2 — CID 153311127

IUPAC5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2CCCCC2)s1
InChIInChI=1S/C16H26N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h9-10,14-15,17H,2-8,11-12H2,1H3/t14-,15+/m1/s1
InChIKeyICONAHCMNBMKIG-CABCVRRESA-N
MW342.53 g/mol
LogP3.13
Rot. Bonds4

About 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide

5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide (PubChem CID 153311127) has the molecular formula C16H26N2O2S2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide
PubChem CID153311127
Molecular FormulaC16H26N2O2S2
Molecular Weight342.53 g/mol
Exact Mass342.14
IUPAC Name5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2CCCCC2)s1
InChIInChI=1S/C16H26N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h9-10,14-15,17H,2-8,11-12H2,1H3/t14-,15+/m1/s1
InChIKeyICONAHCMNBMKIG-CABCVRRESA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide
CID 97056164
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide
CID 114295850
N-(1-acetylpiperidin-4-yl)-5-methylthiophene-2-sulfonamide
CID 39966135
5-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 110726893
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-tert-butyl-2-methylbenzenesulfonamide
CID 86989325
5-bromo-N-(2-bromocycloheptyl)thiophene-2-sulfonamide
CID 113395171
N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide
CID 155770202
N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
CID 110871416
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide (CID 153311127) is 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N2CCCCC2)s1.
What is the InChIKey of 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide?
The InChIKey is ICONAHCMNBMKIG-CABCVRRESA-N. The full InChI is InChI=1S/C16H26N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h9-10,14-15,17H,2-8,11-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide?
5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide has a molecular weight of 342.53 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide is sourced from PubChem (CID 153311127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).