3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine

C8H12ClNO2S2 — CID 117036257

IUPAC3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine
SMILESCC(CCN)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-6(4-5-10)14(11,12)8-3-2-7(9)13-8/h2-3,6H,4-5,10H2,1H3
InChIKeySMIHCHQLHCOBLQ-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.91
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine

3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine (PubChem CID 117036257) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine
PubChem CID117036257
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC Name3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine
SMILESCC(CCN)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-6(4-5-10)14(11,12)8-3-2-7(9)13-8/h2-3,6H,4-5,10H2,1H3
InChIKeySMIHCHQLHCOBLQ-UHFFFAOYSA-N
XLogP1.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine (CID 117036257) is 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine is CC(CCN)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine?
The InChIKey is SMIHCHQLHCOBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-6(4-5-10)14(11,12)8-3-2-7(9)13-8/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine?
3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine has a molecular weight of 253.78 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)sulfonylbutan-1-amine is sourced from PubChem (CID 117036257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).