5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide

C11H20N2O2S2 — CID 103466132

IUPAC5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C11H20N2O2S2/c1-4-11(2,3)8-13-17(14,15)10-5-9(6-12)16-7-10/h5,7,13H,4,6,8,12H2,1-3H3
InChIKeyZOFWLANUVGOOBV-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.92
Rot. Bonds6

About 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide (PubChem CID 103466132) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide
PubChem CID103466132
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C11H20N2O2S2/c1-4-11(2,3)8-13-17(14,15)10-5-9(6-12)16-7-10/h5,7,13H,4,6,8,12H2,1-3H3
InChIKeyZOFWLANUVGOOBV-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106079881
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
CID 114142018
5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 114138779
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274
5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106018473
5-(aminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093482
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106001955

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide (CID 103466132) is 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide is CCC(C)(C)CNS(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide?
The InChIKey is ZOFWLANUVGOOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-11(2,3)8-13-17(14,15)10-5-9(6-12)16-7-10/h5,7,13H,4,6,8,12H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide has a molecular weight of 276.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,2-dimethylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 103466132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).