5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide

C9H16N2O3S2 — CID 106056951

IUPAC5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C9H16N2O3S2/c1-7(5-14-2)11-16(12,13)9-3-8(4-10)15-6-9/h3,6-7,11H,4-5,10H2,1-2H3
InChIKeyJDHSYCZEAOSNEL-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.52
Rot. Bonds6

About 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide (PubChem CID 106056951) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide
PubChem CID106056951
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC Name5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C9H16N2O3S2/c1-7(5-14-2)11-16(12,13)9-3-8(4-10)15-6-9/h3,6-7,11H,4-5,10H2,1-2H3
InChIKeyJDHSYCZEAOSNEL-UHFFFAOYSA-N
XLogP0.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106084568
5-(aminomethyl)-N-(2-methoxypropyl)thiophene-3-sulfonamide
CID 102701613
N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106054219
5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092055
5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
CID 114142018
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106079881
5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197
5-(aminomethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 114141055
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051
5-(aminomethyl)-N-(4-methoxybutan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141494
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
5-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106030415

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide (CID 106056951) is 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide is COCC(C)NS(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide?
The InChIKey is JDHSYCZEAOSNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-7(5-14-2)11-16(12,13)9-3-8(4-10)15-6-9/h3,6-7,11H,4-5,10H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-methoxypropan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106056951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).