2-(benzenesulfonyl)-2-thiophen-2-ylethanamine

C12H13NO2S2 — CID 16641349

IUPAC2-(benzenesulfonyl)-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13NO2S2/c13-9-12(11-7-4-8-16-11)17(14,15)10-5-2-1-3-6-10/h1-8,12H,9,13H2
InChIKeyWMHJBFDXPSMQBH-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.22
Rot. Bonds4

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

2-(benzenesulfonyl)-2-thiophen-2-ylethanamine (PubChem CID 16641349) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-thiophen-2-ylethanamine
PubChem CID16641349
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name2-(benzenesulfonyl)-2-thiophen-2-ylethanamine
SMILESNCC(c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H13NO2S2/c13-9-12(11-7-4-8-16-11)17(14,15)10-5-2-1-3-6-10/h1-8,12H,9,13H2
InChIKeyWMHJBFDXPSMQBH-UHFFFAOYSA-N
XLogP2.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine (CID 16641349) is 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine is NCC(c1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine?
The InChIKey is WMHJBFDXPSMQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c13-9-12(11-7-4-8-16-11)17(14,15)10-5-2-1-3-6-10/h1-8,12H,9,13H2.
What are the key properties of 2-(benzenesulfonyl)-2-thiophen-2-ylethanamine?
2-(benzenesulfonyl)-2-thiophen-2-ylethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.22, 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 is sourced from PubChem (CID 16641349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).