N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide

C12H20N2O2S2 — CID 97056164

IUPACN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CN)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-6-7-12(17-9)18(15,16)14-11-5-3-2-4-10(11)8-13/h6-7,10-11,14H,2-5,8,13H2,1H3/t10-,11-/m0/s1
InChIKeyOKPKJKRHOAZBCS-QWRGUYRKSA-N
MW288.44 g/mol
LogP1.85
Rot. Bonds4

About N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide

N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide (PubChem CID 97056164) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide
PubChem CID97056164
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CN)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-6-7-12(17-9)18(15,16)14-11-5-3-2-4-10(11)8-13/h6-7,10-11,14H,2-5,8,13H2,1H3/t10-,11-/m0/s1
InChIKeyOKPKJKRHOAZBCS-QWRGUYRKSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
N-cyclopentyl-5-methylthiophene-2-sulfonamide
CID 39792230
N-[2-(aminomethyl)cyclopentyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide;hydrochloride
CID 119985707
5-methyl-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]thiophene-2-sulfonamide
CID 153311127
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119612285
N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-2,5-dimethyl-3-methylsulfonylbenzenesulfonamide
CID 124698245
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 124694470
N-(4-bromocyclohexyl)-5-methylthiophene-2-sulfonamide
CID 114295850
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide (CID 97056164) is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CN)s1.
What is the InChIKey of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is OKPKJKRHOAZBCS-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-6-7-12(17-9)18(15,16)14-11-5-3-2-4-10(11)8-13/h6-7,10-11,14H,2-5,8,13H2,1H3/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide?
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 97056164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).