4-amino-N-(2-tert-butylsulfonylethyl)pentanamide

C11H24N2O3S — CID 120562745

IUPAC4-amino-N-(2-tert-butylsulfonylethyl)pentanamide
SMILESCC(N)CCC(=O)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-9(12)5-6-10(14)13-7-8-17(15,16)11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyJMZGMYLVCNIYBO-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.44
Rot. Bonds6

About 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide

4-amino-N-(2-tert-butylsulfonylethyl)pentanamide (PubChem CID 120562745) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(2-tert-butylsulfonylethyl)pentanamide
PubChem CID120562745
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-(2-tert-butylsulfonylethyl)pentanamide
SMILESCC(N)CCC(=O)NCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-9(12)5-6-10(14)13-7-8-17(15,16)11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyJMZGMYLVCNIYBO-UHFFFAOYSA-N
XLogP0.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-amino-N-propylpentanamide
CID 146234117
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
CID 106723535
4-hydroxy-N-(2-methylsulfonylethyl)pentanamide
CID 79192328
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid
CID 65223873
4-(4-aminopentanoylamino)-2-hydroxybutanoic acid
CID 107836031
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
4-amino-N-(2-oxoethyl)pentanamide
CID 143686044

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide?
The IUPAC name of 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide (CID 120562745) is 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide.
What is the SMILES notation for 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide?
The canonical SMILES for 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide is CC(N)CCC(=O)NCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide?
The InChIKey is JMZGMYLVCNIYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(12)5-6-10(14)13-7-8-17(15,16)11(2,3)4/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide?
4-amino-N-(2-tert-butylsulfonylethyl)pentanamide has a molecular weight of 264.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-tert-butylsulfonylethyl)pentanamide is sourced from PubChem (CID 120562745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).