4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide

C10H18N2O2S3 — CID 114142109

IUPAC4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCSCCC(C)NS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C10H18N2O2S3/c1-8(3-4-15-2)12-17(13,14)10-5-9(6-11)7-16-10/h5,7-8,12H,3-4,6,11H2,1-2H3
InChIKeyHFSJBLULUBKMCG-UHFFFAOYSA-N
MW294.47 g/mol
LogP1.63
Rot. Bonds7

About 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 114142109) has the molecular formula C10H18N2O2S3 and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID114142109
Molecular FormulaC10H18N2O2S3
Molecular Weight294.47 g/mol
Exact Mass294.05
IUPAC Name4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
SMILESCSCCC(C)NS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C10H18N2O2S3/c1-8(3-4-15-2)12-17(13,14)10-5-9(6-11)7-16-10/h5,7-8,12H,3-4,6,11H2,1-2H3
InChIKeyHFSJBLULUBKMCG-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079826
4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106067638
5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 104654871
4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide
CID 106066825
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
5-(aminomethyl)-2,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080287
5-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106080192
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-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106080295
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139
4-amino-3-bromo-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113476908

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide (CID 114142109) is 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide is CSCCC(C)NS(=O)(=O)c1cc(CN)cs1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is HFSJBLULUBKMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S3/c1-8(3-4-15-2)12-17(13,14)10-5-9(6-11)7-16-10/h5,7-8,12H,3-4,6,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 294.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114142109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).