4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide

C15H26N2O2S2 — CID 83145859

IUPAC4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(CNC2CC2)cs1)C(C)(C)C
InChIInChI=1S/C15H26N2O2S2/c1-11(15(2,3)4)8-17-21(18,19)14-7-12(10-20-14)9-16-13-5-6-13/h7,10-11,13,16-17H,5-6,8-9H2,1-4H3
InChIKeyJGELUJNBAUCYPM-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.96
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide

4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide (PubChem CID 83145859) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
PubChem CID83145859
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(CNC2CC2)cs1)C(C)(C)C
InChIInChI=1S/C15H26N2O2S2/c1-11(15(2,3)4)8-17-21(18,19)14-7-12(10-20-14)9-16-13-5-6-13/h7,10-11,13,16-17H,5-6,8-9H2,1-4H3
InChIKeyJGELUJNBAUCYPM-UHFFFAOYSA-N
XLogP2.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 113304220
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
CID 103466229
4-[(cyclopropylamino)methyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018930
4-[(cyclopropylamino)methyl]-N-(2-ethoxy-2-methylpropyl)thiophene-2-sulfonamide
CID 106086794
4-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035028
4-[(cyclopropylamino)methyl]-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071701
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
4-[(cyclopropylamino)methyl]-N-pyridin-2-ylthiophene-2-sulfonamide
CID 106082542
N-(2-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106077840
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide (CID 83145859) is 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide is CC(CNS(=O)(=O)c1cc(CNC2CC2)cs1)C(C)(C)C.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide?
The InChIKey is JGELUJNBAUCYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11(15(2,3)4)8-17-21(18,19)14-7-12(10-20-14)9-16-13-5-6-13/h7,10-11,13,16-17H,5-6,8-9H2,1-4H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(2,3,3-trimethylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 83145859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).