2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride

C10H12ClNO2S3 — CID 20982714

IUPAC2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
SMILESCl.NCC(c1cccs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H11NO2S3.ClH/c11-7-9(8-3-1-5-14-8)16(12,13)10-4-2-6-15-10;/h1-6,9H,7,11H2;1H
InChIKeyYQGFMIYHGXZNEJ-UHFFFAOYSA-N
MW309.87 g/mol
LogP2.71
Rot. Bonds4

About 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride

2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride (PubChem CID 20982714) has the molecular formula C10H12ClNO2S3 and a molecular weight of 309.87 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride.

Molecular Properties

Compound Name2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
PubChem CID20982714
Molecular FormulaC10H12ClNO2S3
Molecular Weight309.87 g/mol
Exact Mass308.97
IUPAC Name2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
SMILESCl.NCC(c1cccs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H11NO2S3.ClH/c11-7-9(8-3-1-5-14-8)16(12,13)10-4-2-6-15-10;/h1-6,9H,7,11H2;1H
InChIKeyYQGFMIYHGXZNEJ-UHFFFAOYSA-N
XLogP2.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride
CID 20982711
(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfonylethanamine
CID 9162051
3-amino-2-thiophen-2-ylsulfonylpropanoic acid
CID 64694450
2-phenyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 110315182
2-propan-2-ylsulfonylthiophene
CID 22953694
2-(difluoromethylsulfonyl)thiophene
CID 82076235
N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
CID 22584108
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668
2-(1-ethylsulfonylethylsulfonyl)thiophene
CID 11651901
2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 22584107
N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555177

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride?
The IUPAC name of 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride (CID 20982714) is 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride.
What is the SMILES notation for 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride?
The canonical SMILES for 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride is Cl.NCC(c1cccs1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride?
The InChIKey is YQGFMIYHGXZNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S3.ClH/c11-7-9(8-3-1-5-14-8)16(12,13)10-4-2-6-15-10;/h1-6,9H,7,11H2;1H.
What are the key properties of 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride?
2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride has a molecular weight of 309.87 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride is sourced from PubChem (CID 20982714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).