3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide

C13H20N2O3S — CID 103308815

IUPAC3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(N)CC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)11(14)9-12(16)15-19(17,18)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyCBCHAXGPEUFIGI-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.25
Rot. Bonds4

About 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide

3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide (PubChem CID 103308815) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
PubChem CID103308815
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(N)CC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)11(14)9-12(16)15-19(17,18)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyCBCHAXGPEUFIGI-UHFFFAOYSA-N
XLogP1.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(benzenesulfonyl)-2-(methylamino)acetamide;hydrochloride
CID 90425402
3-amino-4,4-dimethyl-1-phenylpentan-1-one
CID 116608460
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
ethyl 2-amino-3-(benzenesulfonamido)-3-oxopropanoate
CID 103308934
(2S)-2-(benzenesulfonamido)-3,3-dimethylbutanoic acid
CID 61142132
3-[2-[(3-amino-4,4-dimethylpentanoyl)amino]phenyl]propanoic acid
CID 107273611
6-amino-N-(benzenesulfonyl)-4-ethylhexanamide
CID 103308862
N-(benzenesulfonyl)-2-(4-hydroxyphenyl)acetamide
CID 139754141
benzenesulfonamide;tert-butyl N-[3-(benzenesulfonamido)-3-oxopropyl]carbamate;methane;3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 161337675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide (CID 103308815) is 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide is CC(C)(C)C(N)CC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide?
The InChIKey is CBCHAXGPEUFIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,3)11(14)9-12(16)15-19(17,18)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide?
3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide has a molecular weight of 284.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(benzenesulfonyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 103308815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).