2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride

C12H14ClNO2S2 — CID 20982711

IUPAC2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NCC(c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13NO2S2.ClH/c13-9-12(11-7-4-8-16-11)17(14,15)10-5-2-1-3-6-10;/h1-8,12H,9,13H2;1H
InChIKeyAFMWZGYIIYPTEF-UHFFFAOYSA-N
MW303.84 g/mol
LogP2.64
Rot. Bonds4

About 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride

2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride (PubChem CID 20982711) has the molecular formula C12H14ClNO2S2 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride
PubChem CID20982711
Molecular FormulaC12H14ClNO2S2
Molecular Weight303.84 g/mol
Exact Mass303.02
IUPAC Name2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride
SMILESCl.NCC(c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13NO2S2.ClH/c13-9-12(11-7-4-8-16-11)17(14,15)10-5-2-1-3-6-10;/h1-8,12H,9,13H2;1H
InChIKeyAFMWZGYIIYPTEF-UHFFFAOYSA-N
XLogP2.64
TPSA60.16 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
CID 20982714
(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide
CID 7280102
(3S)-3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 1129019
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 7268431
[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079080
[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]azanium
CID 9079056
N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 22583984
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 7268429
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193427
N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 27564557
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 40774888

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride (CID 20982711) is 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride is Cl.NCC(c1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is AFMWZGYIIYPTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2.ClH/c13-9-12(11-7-4-8-16-11)17(14,15)10-5-2-1-3-6-10;/h1-8,12H,9,13H2;1H.
What are the key properties of 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride?
2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 20982711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).