(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide

C12H26N2O4S — CID 10913410

IUPAC(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide
SMILESCC(C)C[C@@H](CO)NC(=O)[C@@H](NS(C)(=O)=O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-8(2)6-10(7-15)13-12(16)11(9(3)4)14-19(5,17)18/h8-11,14-15H,6-7H2,1-5H3,(H,13,16)/t10-,11-/m0/s1
InChIKeyPLXALFQLPQQRPJ-QWRGUYRKSA-N
MW294.42 g/mol
LogP0.08
Rot. Bonds8

About (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide

(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide (PubChem CID 10913410) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide
PubChem CID10913410
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide
SMILESCC(C)C[C@@H](CO)NC(=O)[C@@H](NS(C)(=O)=O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-8(2)6-10(7-15)13-12(16)11(9(3)4)14-19(5,17)18/h8-11,14-15H,6-7H2,1-5H3,(H,13,16)/t10-,11-/m0/s1
InChIKeyPLXALFQLPQQRPJ-QWRGUYRKSA-N
XLogP0.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide?
The IUPAC name of (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide (CID 10913410) is (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide?
The canonical SMILES for (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide is CC(C)C[C@@H](CO)NC(=O)[C@@H](NS(C)(=O)=O)C(C)C.
What is the InChIKey of (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide?
The InChIKey is PLXALFQLPQQRPJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-8(2)6-10(7-15)13-12(16)11(9(3)4)14-19(5,17)18/h8-11,14-15H,6-7H2,1-5H3,(H,13,16)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide?
(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide has a molecular weight of 294.42 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-3-methylbutanamide is sourced from PubChem (CID 10913410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).