N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide

C13H21NO2S2 — CID 769116

IUPACN-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide
SMILESC[C@H]1C[C@H](NS(=O)(=O)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C13H21NO2S2/c1-10-7-11(9-13(2,3)8-10)14-18(15,16)12-5-4-6-17-12/h4-6,10-11,14H,7-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyJILVXKZYSMHVED-QWRGUYRKSA-N
MW287.45 g/mol
LogP3.24
Rot. Bonds3

About N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide

N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide (PubChem CID 769116) has the molecular formula C13H21NO2S2 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide
PubChem CID769116
Molecular FormulaC13H21NO2S2
Molecular Weight287.45 g/mol
Exact Mass287.10
IUPAC NameN-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide
SMILESC[C@H]1C[C@H](NS(=O)(=O)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C13H21NO2S2/c1-10-7-11(9-13(2,3)8-10)14-18(15,16)12-5-4-6-17-12/h4-6,10-11,14H,7-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyJILVXKZYSMHVED-QWRGUYRKSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide
CID 7028487
3-thiophen-2-yl-3-[(3,3,5-trimethylcyclohexyl)amino]propanoic acid
CID 43727712
N-(1-methylcyclopropyl)thiophene-2-sulfonamide
CID 130660498
N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide
CID 43749905
N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110871311
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 42595762
N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71645820
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 42912536
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 114550202
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide (CID 769116) is N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide is C[C@H]1C[C@H](NS(=O)(=O)c2cccs2)CC(C)(C)C1.
What is the InChIKey of N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide?
The InChIKey is JILVXKZYSMHVED-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21NO2S2/c1-10-7-11(9-13(2,3)8-10)14-18(15,16)12-5-4-6-17-12/h4-6,10-11,14H,7-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide?
N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide has a molecular weight of 287.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide is sourced from PubChem (CID 769116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).