3-thiophen-2-ylsulfonylbutan-2-amine

C8H13NO2S2 — CID 64645795

IUPAC3-thiophen-2-ylsulfonylbutan-2-amine
SMILESCC(N)C(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H13NO2S2/c1-6(9)7(2)13(10,11)8-4-3-5-12-8/h3-7H,9H2,1-2H3
InChIKeyMKUHFYVCLIORPN-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.26
Rot. Bonds3

About 3-thiophen-2-ylsulfonylbutan-2-amine

3-thiophen-2-ylsulfonylbutan-2-amine (PubChem CID 64645795) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfonylbutan-2-amine.

Molecular Properties

Compound Name3-thiophen-2-ylsulfonylbutan-2-amine
PubChem CID64645795
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name3-thiophen-2-ylsulfonylbutan-2-amine
SMILESCC(N)C(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C8H13NO2S2/c1-6(9)7(2)13(10,11)8-4-3-5-12-8/h3-7H,9H2,1-2H3
InChIKeyMKUHFYVCLIORPN-UHFFFAOYSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-thiophen-2-ylsulfonylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propan-2-ylsulfonylthiophene
CID 22953694
2-methyl-3-thiophen-2-ylsulfonylbutanoic acid
CID 79391486
3-thiophen-2-ylsulfonylbutan-2-one
CID 64642163
2-(1-ethylsulfonylethylsulfonyl)thiophene
CID 11651901
2-(difluoromethylsulfonyl)thiophene
CID 82076235
3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
CID 64646199
5-thiophen-2-ylsulfonylpentan-2-amine
CID 64644611
methanol;thiophene-2-sulfonamide
CID 157397427
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
N,3-dimethyl-2-thiophen-2-ylsulfonylbutan-1-amine
CID 117037755
2-thiophen-2-yl-2-thiophen-2-ylsulfonylethanamine;hydrochloride
CID 20982714
3-amino-2-thiophen-2-ylsulfonylpropanoic acid
CID 64694450

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfonylbutan-2-amine?
The IUPAC name of 3-thiophen-2-ylsulfonylbutan-2-amine (CID 64645795) is 3-thiophen-2-ylsulfonylbutan-2-amine.
What is the SMILES notation for 3-thiophen-2-ylsulfonylbutan-2-amine?
The canonical SMILES for 3-thiophen-2-ylsulfonylbutan-2-amine is CC(N)C(C)S(=O)(=O)c1cccs1.
What is the InChIKey of 3-thiophen-2-ylsulfonylbutan-2-amine?
The InChIKey is MKUHFYVCLIORPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-6(9)7(2)13(10,11)8-4-3-5-12-8/h3-7H,9H2,1-2H3.
What are the key properties of 3-thiophen-2-ylsulfonylbutan-2-amine?
3-thiophen-2-ylsulfonylbutan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylsulfonylbutan-2-amine is sourced from PubChem (CID 64645795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).