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

C10H18N2O3S2 — CID 106067638

IUPAC4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C10H18N2O3S2/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
InChIKeyZSJMKZPYCFEFSP-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.91
Rot. Bonds7

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

4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide (PubChem CID 106067638) has the molecular formula C10H18N2O3S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
PubChem CID106067638
Molecular FormulaC10H18N2O3S2
Molecular Weight278.40 g/mol
Exact Mass278.08
IUPAC Name4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C10H18N2O3S2/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
InChIKeyZSJMKZPYCFEFSP-UHFFFAOYSA-N
XLogP0.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.91
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-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079826
4-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-2-sulfonamide
CID 106066825
4-(aminomethyl)-N-(1-ethoxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106093857
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141494
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106067591
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139
4-(hydroxymethyl)-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114132138
2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64603615
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 64604413
5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106067439

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide (CID 106067638) is 4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide is COCCC(C)NS(=O)(=O)c1cc(CN)cs1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is ZSJMKZPYCFEFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S2/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-methoxybutan-2-yl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 278.40 g/mol, XLogP of 0.91, 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-methoxybutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106067638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).