N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide

C12H26N2O4S — CID 107300537

IUPACN-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCCCC(C)O
InChIInChI=1S/C12H26N2O4S/c1-9(2)8-11(14-19(4,17)18)12(16)13-7-5-6-10(3)15/h9-11,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyVZEXEYQRDDUGQF-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.23
Rot. Bonds9

About N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide

N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide (PubChem CID 107300537) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
PubChem CID107300537
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC NameN-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCCCC(C)O
InChIInChI=1S/C12H26N2O4S/c1-9(2)8-11(14-19(4,17)18)12(16)13-7-5-6-10(3)15/h9-11,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyVZEXEYQRDDUGQF-UHFFFAOYSA-N
XLogP0.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide
CID 113236515
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103755898
(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide
CID 10781140
N-(1-hydroxy-4-methylpentan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 61245348
3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332
N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103824958
2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
CID 115410186

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide?
The IUPAC name of N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide (CID 107300537) is N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide is CC(C)CC(NS(C)(=O)=O)C(=O)NCCCC(C)O.
What is the InChIKey of N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide?
The InChIKey is VZEXEYQRDDUGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-9(2)8-11(14-19(4,17)18)12(16)13-7-5-6-10(3)15/h9-11,14-15H,5-8H2,1-4H3,(H,13,16).
What are the key properties of N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide?
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide has a molecular weight of 294.42 g/mol, XLogP of 0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide is sourced from PubChem (CID 107300537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).