N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide

C12H26N2O4S2 — CID 103867207

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
SMILESCSC(CO)C(C)NC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C12H26N2O4S2/c1-8(2)6-10(14-20(5,17)18)12(16)13-9(3)11(7-15)19-4/h8-11,14-15H,6-7H2,1-5H3,(H,13,16)
InChIKeyOQZBXJYRZJUNFA-UHFFFAOYSA-N
MW326.48 g/mol
LogP0.18
Rot. Bonds9

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide (PubChem CID 103867207) has the molecular formula C12H26N2O4S2 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
PubChem CID103867207
Molecular FormulaC12H26N2O4S2
Molecular Weight326.48 g/mol
Exact Mass326.13
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
SMILESCSC(CO)C(C)NC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C12H26N2O4S2/c1-8(2)6-10(14-20(5,17)18)12(16)13-9(3)11(7-15)19-4/h8-11,14-15H,6-7H2,1-5H3,(H,13,16)
InChIKeyOQZBXJYRZJUNFA-UHFFFAOYSA-N
XLogP0.18
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylbutanamide
CID 103798799
2-(ethylsulfonylamino)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylsulfanylbutanamide
CID 103867126
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
(2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107822218
2-cyclopropyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801532
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
CID 115410186
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide (CID 103867207) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide is CSC(CO)C(C)NC(=O)C(CC(C)C)NS(C)(=O)=O.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide?
The InChIKey is OQZBXJYRZJUNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S2/c1-8(2)6-10(14-20(5,17)18)12(16)13-9(3)11(7-15)19-4/h8-11,14-15H,6-7H2,1-5H3,(H,13,16).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide has a molecular weight of 326.48 g/mol, XLogP of 0.18, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide is sourced from PubChem (CID 103867207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).