2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide

C13H20N2O3S — CID 103308749

IUPAC2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-3-13(4-2,10-14)12(16)15-19(17,18)11-8-6-5-7-9-11/h5-9H,3-4,10,14H2,1-2H3,(H,15,16)
InChIKeyGQJJVVBJVOVRLA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.26
Rot. Bonds6

About 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide

2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide (PubChem CID 103308749) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide
PubChem CID103308749
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-3-13(4-2,10-14)12(16)15-19(17,18)11-8-6-5-7-9-11/h5-9H,3-4,10,14H2,1-2H3,(H,15,16)
InChIKeyGQJJVVBJVOVRLA-UHFFFAOYSA-N
XLogP1.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
N-(benzenesulfonyl)-2,2-dimethyl-4-oxobutanamide
CID 91092490
2,2-diethyl-N'-(4-phenoxyphenyl)sulfonylpropanediamide
CID 68508410
2-[2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]phenyl]acetic acid
CID 115432487
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-[1-(benzenesulfonamido)-2-methyl-1-oxo-3-phenylpropan-2-yl]-N-methylbenzamide
CID 15895939
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3-phenylpropanoic acid
CID 115432257
N-[3-(aminomethyl)-3-ethylpentyl]benzenesulfonamide
CID 173233939
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
(2S)-N-(benzenesulfonyl)-2-bromopentanamide
CID 7035642
methyl N-(benzenesulfonyl)carbamate
CID 676519

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide (CID 103308749) is 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide?
The InChIKey is GQJJVVBJVOVRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-13(4-2,10-14)12(16)15-19(17,18)11-8-6-5-7-9-11/h5-9H,3-4,10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide?
2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide has a molecular weight of 284.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(benzenesulfonyl)-2-ethylbutanamide is sourced from PubChem (CID 103308749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).