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

C15H26N2O2S2 — CID 103466078

IUPAC5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(C)c(CNC2CC2)s1
InChIInChI=1S/C15H26N2O2S2/c1-5-15(3,4)10-17-21(18,19)14-8-11(2)13(20-14)9-16-12-6-7-12/h8,12,16-17H,5-7,9-10H2,1-4H3
InChIKeyBNZLPCDWBNXZQY-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.02
Rot. Bonds8

About 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide (PubChem CID 103466078) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide
PubChem CID103466078
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1cc(C)c(CNC2CC2)s1
InChIInChI=1S/C15H26N2O2S2/c1-5-15(3,4)10-17-21(18,19)14-8-11(2)13(20-14)9-16-12-6-7-12/h8,12,16-17H,5-7,9-10H2,1-4H3
InChIKeyBNZLPCDWBNXZQY-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)thiophene-2-sulfonamide
CID 103466229
5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071767
5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054144
5-[(cyclopropylamino)methyl]-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013527
5-[(cyclopropylamino)methyl]-N-(1-ethoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106054395
N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
CID 79180236
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
CID 106317127
5-(ethylaminomethyl)-4-methyl-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551969
5-(ethylaminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106296004
4-[(cyclopropylamino)methyl]-N-(2-ethoxy-2-methylpropyl)thiophene-2-sulfonamide
CID 106086794
5-(ethylaminomethyl)-4-methyl-N-(3-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 106092143
4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106072586

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide (CID 103466078) is 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide is CCC(C)(C)CNS(=O)(=O)c1cc(C)c(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is BNZLPCDWBNXZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-15(3,4)10-17-21(18,19)14-8-11(2)13(20-14)9-16-12-6-7-12/h8,12,16-17H,5-7,9-10H2,1-4H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103466078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).