(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride

C6H10ClNO2S2 — CID 71756062

IUPAC(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
SMILESCS(=O)(=O)c1ccc(CN)s1.Cl
InChIInChI=1S/C6H9NO2S2.ClH/c1-11(8,9)6-3-2-5(4-7)10-6;/h2-3H,4,7H2,1H3;1H
InChIKeyXSYNOKPFUHYOPT-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.03
Rot. Bonds2

About (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride

(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride (PubChem CID 71756062) has the molecular formula C6H10ClNO2S2 and a molecular weight of 227.74 g/mol. Its IUPAC name is (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
PubChem CID71756062
Molecular FormulaC6H10ClNO2S2
Molecular Weight227.74 g/mol
Exact Mass226.98
IUPAC Name(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
SMILESCS(=O)(=O)c1ccc(CN)s1.Cl
InChIInChI=1S/C6H9NO2S2.ClH/c1-11(8,9)6-3-2-5(4-7)10-6;/h2-3H,4,7H2,1H3;1H
InChIKeyXSYNOKPFUHYOPT-UHFFFAOYSA-N
XLogP1.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(benzenesulfonyl)thiophen-2-yl]methanamine
CID 130358016
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 130358029
N-[5-(aminomethyl)thiophen-2-yl]methanesulfonamide
CID 82507164
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
CID 158924198
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130344905
5-(aminomethyl)-N-pentan-2-ylthiophene-2-sulfonamide
CID 43155699
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide
CID 55009501
5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide
CID 130358396
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957

Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride (CID 71756062) is (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride is CS(=O)(=O)c1ccc(CN)s1.Cl.
What is the InChIKey of (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride?
The InChIKey is XSYNOKPFUHYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S2.ClH/c1-11(8,9)6-3-2-5(4-7)10-6;/h2-3H,4,7H2,1H3;1H.
What are the key properties of (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride?
(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 71756062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).