N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide

C12H19NO3S2 — CID 94415069

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c(C)s1
InChIInChI=1S/C12H19NO3S2/c1-8-7-12(9(2)17-8)18(15,16)13-10-5-3-4-6-11(10)14/h7,10-11,13-14H,3-6H2,1-2H3/t10-,11-/m1/s1
InChIKeySLDMPGMGXJAXAX-GHMZBOCLSA-N
MW289.42 g/mol
LogP1.95
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 94415069) has the molecular formula C12H19NO3S2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID94415069
Molecular FormulaC12H19NO3S2
Molecular Weight289.42 g/mol
Exact Mass289.08
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c(C)s1
InChIInChI=1S/C12H19NO3S2/c1-8-7-12(9(2)17-8)18(15,16)13-10-5-3-4-6-11(10)14/h7,10-11,13-14H,3-6H2,1-2H3/t10-,11-/m1/s1
InChIKeySLDMPGMGXJAXAX-GHMZBOCLSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide
CID 104922455
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
5-bromo-N-[2-(hydroxymethyl)cyclopentyl]-2-methylthiophene-3-sulfonamide
CID 103836036
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807
2-[(3R,4S)-3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]oxan-4-yl]oxyacetic acid
CID 91790961
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide (CID 94415069) is N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)c(C)s1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is SLDMPGMGXJAXAX-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19NO3S2/c1-8-7-12(9(2)17-8)18(15,16)13-10-5-3-4-6-11(10)14/h7,10-11,13-14H,3-6H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 289.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 94415069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).