(5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride

C9H10ClNO2S3 — CID 130345102

IUPAC(5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)c2cccs2)s1
InChIInChI=1S/C9H9NO2S3.ClH/c10-6-7-3-4-9(14-7)15(11,12)8-2-1-5-13-8;/h1-5H,6,10H2;1H
InChIKeyWSBXAPPWBVIVJN-UHFFFAOYSA-N
MW295.84 g/mol
LogP2.52
Rot. Bonds3

About (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride

(5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride (PubChem CID 130345102) has the molecular formula C9H10ClNO2S3 and a molecular weight of 295.84 g/mol. Its IUPAC name is (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride
PubChem CID130345102
Molecular FormulaC9H10ClNO2S3
Molecular Weight295.84 g/mol
Exact Mass294.96
IUPAC Name(5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)c2cccs2)s1
InChIInChI=1S/C9H9NO2S3.ClH/c10-6-7-3-4-9(14-7)15(11,12)8-2-1-5-13-8;/h1-5H,6,10H2;1H
InChIKeyWSBXAPPWBVIVJN-UHFFFAOYSA-N
XLogP2.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride (CID 130345102) is (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride is Cl.NCc1ccc(S(=O)(=O)c2cccs2)s1.
What is the InChIKey of (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride?
The InChIKey is WSBXAPPWBVIVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S3.ClH/c10-6-7-3-4-9(14-7)15(11,12)8-2-1-5-13-8;/h1-5H,6,10H2;1H.
What are the key properties of (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride?
(5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride has a molecular weight of 295.84 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 130345102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).