[5-(benzenesulfonyl)thiophen-2-yl]methanamine

C11H11NO2S2 — CID 130358016

IUPAC[5-(benzenesulfonyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C11H11NO2S2/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h1-7H,8,12H2
InChIKeyORJXSVLLDNVYIZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.04
Rot. Bonds3

About [5-(benzenesulfonyl)thiophen-2-yl]methanamine

[5-(benzenesulfonyl)thiophen-2-yl]methanamine (PubChem CID 130358016) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [5-(benzenesulfonyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(benzenesulfonyl)thiophen-2-yl]methanamine
PubChem CID130358016
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Name[5-(benzenesulfonyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C11H11NO2S2/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h1-7H,8,12H2
InChIKeyORJXSVLLDNVYIZ-UHFFFAOYSA-N
XLogP2.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 130358029
[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
CID 158924198
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
CID 130358284
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide
CID 130358396
(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 71756062
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
1-[5-(benzenesulfonyl)thiophen-2-yl]ethanamine
CID 155565133
[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine
CID 130344906
2-chloro-5-isocyanothiophene;2-isocyano-5-(3-methylsulfonylphenyl)sulfonylthiophene;[5-(3-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
CID 158938764
[5-[3-(2-ethoxyphenyl)-5-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345197
[5-(3-methylsulfonyl-5-pyridin-3-ylphenyl)sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130344905
5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
CID 71920351

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(benzenesulfonyl)thiophen-2-yl]methanamine (CID 130358016) is [5-(benzenesulfonyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(benzenesulfonyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(benzenesulfonyl)thiophen-2-yl]methanamine is NCc1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of [5-(benzenesulfonyl)thiophen-2-yl]methanamine?
The InChIKey is ORJXSVLLDNVYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c12-8-9-6-7-11(15-9)16(13,14)10-4-2-1-3-5-10/h1-7H,8,12H2.
What are the key properties of [5-(benzenesulfonyl)thiophen-2-yl]methanamine?
[5-(benzenesulfonyl)thiophen-2-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 130358016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).