1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride

C12H14ClNO2S2 — CID 155562169

IUPAC1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(S(=O)(=O)c2ccccc2)s1.Cl
InChIInChI=1S/C12H13NO2S2.ClH/c1-13-9-10-7-8-12(16-10)17(14,15)11-5-3-2-4-6-11;/h2-8,13H,9H2,1H3;1H
InChIKeyKNUUMTAZCFJWIL-UHFFFAOYSA-N
MW303.84 g/mol
LogP2.72
Rot. Bonds4

About 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride

1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 155562169) has the molecular formula C12H14ClNO2S2 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID155562169
Molecular FormulaC12H14ClNO2S2
Molecular Weight303.84 g/mol
Exact Mass303.02
IUPAC Name1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(S(=O)(=O)c2ccccc2)s1.Cl
InChIInChI=1S/C12H13NO2S2.ClH/c1-13-9-10-7-8-12(16-10)17(14,15)11-5-3-2-4-6-11;/h2-8,13H,9H2,1H3;1H
InChIKeyKNUUMTAZCFJWIL-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride (CID 155562169) is 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride is CNCc1ccc(S(=O)(=O)c2ccccc2)s1.Cl.
What is the InChIKey of 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is KNUUMTAZCFJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2.ClH/c1-13-9-10-7-8-12(16-10)17(14,15)11-5-3-2-4-6-11;/h2-8,13H,9H2,1H3;1H.
What are the key properties of 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride?
1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonyl)thiophen-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 155562169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).