2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide

C10H23N3O3S — CID 113266277

IUPAC2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-4-6-10(2,11)9(14)12-7-5-8-13-17(3,15)16/h13H,4-8,11H2,1-3H3,(H,12,14)
InChIKeyOUJLPWJVHXEQRG-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.44
Rot. Bonds8

About 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide

2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide (PubChem CID 113266277) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide
PubChem CID113266277
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-4-6-10(2,11)9(14)12-7-5-8-13-17(3,15)16/h13H,4-8,11H2,1-3H3,(H,12,14)
InChIKeyOUJLPWJVHXEQRG-UHFFFAOYSA-N
XLogP-0.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylpentanamide;hydrochloride
CID 119728954
2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
2,2,2-trifluoro-N-[3-(methanesulfonamido)propyl]acetamide
CID 103637532
2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide
CID 119831283
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
CID 113288255
(2R)-2-amino-N-[3-(methanesulfonamido)propyl]pentanamide
CID 103795309
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
2-amino-N-(2-hydroxy-2-methylpropyl)-2-methylpentanamide
CID 65107360
N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764489
2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-methylpentanamide
CID 119782577

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide (CID 113266277) is 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide?
The InChIKey is OUJLPWJVHXEQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-4-6-10(2,11)9(14)12-7-5-8-13-17(3,15)16/h13H,4-8,11H2,1-3H3,(H,12,14).
What are the key properties of 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide?
2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide has a molecular weight of 265.38 g/mol, XLogP of -0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide is sourced from PubChem (CID 113266277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).