4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide

C14H24N2O2S2 — CID 103466229

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

About 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide

4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide (PubChem CID 103466229) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
PubChem CID103466229
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(CNC2CC2)cs1
InChIInChI=1S/C14H24N2O2S2/c1-4-14(2,3)10-16-20(17,18)13-7-11(9-19-13)8-15-12-5-6-12/h7,9,12,15-16H,4-6,8,10H2,1-3H3
InChIKeyINQAQICZFIRFOI-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

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(2-ethoxy-2-methylpropyl)thiophene-2-sulfonamide
CID 106086794
4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
CID 83145859
4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035028
5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide
CID 103466078
4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 113304220
4-[(cyclopropylamino)methyl]-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071701
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018930
4-[(cyclopropylamino)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410755
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979
4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
CID 106073795
N-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide
CID 106082542

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide (CID 103466229) is 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide is CCC(C)(C)CNS(=O)(=O)c1cc(CNC2CC2)cs1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide?
The InChIKey is INQAQICZFIRFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-14(2,3)10-16-20(17,18)13-7-11(9-19-13)8-15-12-5-6-12/h7,9,12,15-16H,4-6,8,10H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)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-(2,2-dimethylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 103466229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).