(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide

C13H28N2O4S — CID 10781140

IUPAC(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide
SMILESCC(C)C[C@@H](CO)NC(=O)[C@@H](CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C13H28N2O4S/c1-9(2)6-11(8-16)14-13(17)12(7-10(3)4)15-20(5,18)19/h9-12,15-16H,6-8H2,1-5H3,(H,14,17)/t11-,12+/m0/s1
InChIKeyRFZPQLYNCODIML-NWDGAFQWSA-N
MW308.44 g/mol
LogP0.47
Rot. Bonds9

About (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide

(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide (PubChem CID 10781140) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide
PubChem CID10781140
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC Name(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide
SMILESCC(C)C[C@@H](CO)NC(=O)[C@@H](CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C13H28N2O4S/c1-9(2)6-11(8-16)14-13(17)12(7-10(3)4)15-20(5,18)19/h9-12,15-16H,6-8H2,1-5H3,(H,14,17)/t11-,12+/m0/s1
InChIKeyRFZPQLYNCODIML-NWDGAFQWSA-N
XLogP0.47
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 61245348
(2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107822218
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103867207
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
CID 115410186
3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide?
The IUPAC name of (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide (CID 10781140) is (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide?
The canonical SMILES for (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide is CC(C)C[C@@H](CO)NC(=O)[C@@H](CC(C)C)NS(C)(=O)=O.
What is the InChIKey of (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide?
The InChIKey is RFZPQLYNCODIML-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-9(2)6-11(8-16)14-13(17)12(7-10(3)4)15-20(5,18)19/h9-12,15-16H,6-8H2,1-5H3,(H,14,17)/t11-,12+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide?
(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide has a molecular weight of 308.44 g/mol, XLogP of 0.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide is sourced from PubChem (CID 10781140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).