4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide

C9H16N2O2S3 — CID 106079826

IUPAC4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
SMILESCSCC(C)NS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C9H16N2O2S3/c1-7(5-14-2)11-16(12,13)9-3-8(4-10)6-15-9/h3,6-7,11H,4-5,10H2,1-2H3
InChIKeyVVNHLBYKCAWJHK-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.24
Rot. Bonds6

About 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 106079826) has the molecular formula C9H16N2O2S3 and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID106079826
Molecular FormulaC9H16N2O2S3
Molecular Weight280.44 g/mol
Exact Mass280.04
IUPAC Name4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
SMILESCSCC(C)NS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C9H16N2O2S3/c1-7(5-14-2)11-16(12,13)9-3-8(4-10)6-15-9/h3,6-7,11H,4-5,10H2,1-2H3
InChIKeyVVNHLBYKCAWJHK-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 114142109
4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide
CID 106066825
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106067638
4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106093857
4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114132138
5-(aminomethyl)-2,3-difluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079695
N-(1-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106083905
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139
1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide
CID 106079683
4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090565

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide (CID 106079826) is 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide is CSCC(C)NS(=O)(=O)c1cc(CN)cs1.
What is the InChIKey of 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is VVNHLBYKCAWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S3/c1-7(5-14-2)11-16(12,13)9-3-8(4-10)6-15-9/h3,6-7,11H,4-5,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 280.44 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106079826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).