4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide

C14H24N2O2S2 — CID 106018930

IUPAC4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CNC2CC2)cs1)C(C)C
InChIInChI=1S/C14H24N2O2S2/c1-4-13(10(2)3)16-20(17,18)14-7-11(9-19-14)8-15-12-5-6-12/h7,9-10,12-13,15-16H,4-6,8H2,1-3H3
InChIKeyBJNKFOFHUFYNFU-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.71
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide

4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide (PubChem CID 106018930) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
PubChem CID106018930
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CNC2CC2)cs1)C(C)C
InChIInChI=1S/C14H24N2O2S2/c1-4-13(10(2)3)16-20(17,18)14-7-11(9-19-14)8-15-12-5-6-12/h7,9-10,12-13,15-16H,4-6,8H2,1-3H3
InChIKeyBJNKFOFHUFYNFU-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide 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

4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979
4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83145859
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
CID 103466229
4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 113304220
4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035028
N-(1-cyclopentylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066079
4-[(cyclopropylamino)methyl]-N-(2-ethoxy-2-methylpropyl)thiophene-2-sulfonamide
CID 106086794
N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106065988
N-(1-cyclohexylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106056863
4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410755
4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106093857
4-[(cyclopropylamino)methyl]-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071701

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide (CID 106018930) is 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide is CCC(NS(=O)(=O)c1cc(CNC2CC2)cs1)C(C)C.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The InChIKey is BJNKFOFHUFYNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-13(10(2)3)16-20(17,18)14-7-11(9-19-14)8-15-12-5-6-12/h7,9-10,12-13,15-16H,4-6,8H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106018930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).