(2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide

C12H24N2O4S — CID 11066263

IUPAC(2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](NS(C)(=O)=O)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-8(2)6-10(7-15)13-12(16)11(9(3)4)14-19(5,17)18/h7-11,14H,6H2,1-5H3,(H,13,16)/t10-,11-/m0/s1
InChIKeyAWVYTVIGCMPMHI-QWRGUYRKSA-N
MW292.40 g/mol
LogP0.29
Rot. Bonds8

About (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide

(2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide (PubChem CID 11066263) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
PubChem CID11066263
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name(2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@@H](NS(C)(=O)=O)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-8(2)6-10(7-15)13-12(16)11(9(3)4)14-19(5,17)18/h7-11,14H,6H2,1-5H3,(H,13,16)/t10-,11-/m0/s1
InChIKeyAWVYTVIGCMPMHI-QWRGUYRKSA-N
XLogP0.29
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-Formyl-3-methyl-butyl)-2-methanesulfonylamino-3-methyl-butyramide
CID 44381886
(2S)-2-(methanesulfonamido)-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 44367043
Ac-Leu-Leu-Met(O2)-al
CID 44329972
2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide
CID 22789199
N-[1-[2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
CID 75461983
1-(methanesulfonamido)-N-(1-oxopropan-2-yl)cyclohexane-1-carboxamide
CID 20644288
N-(4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 21343533
2-amino-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide
CID 22134168
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
2-amino-N-(4-methyl-1-oxopentan-2-yl)acetamide
CID 22757149
(2S)-2-amino-N-[(2S)-4-methyl-1-oxopentan-2-yl]propanamide
CID 22805912
(2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 22815046

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The IUPAC name of (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide (CID 11066263) is (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The canonical SMILES for (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide is CC(C)C[C@@H](C=O)NC(=O)[C@@H](NS(C)(=O)=O)C(C)C.
What is the InChIKey of (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The InChIKey is AWVYTVIGCMPMHI-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-8(2)6-10(7-15)13-12(16)11(9(3)4)14-19(5,17)18/h7-11,14H,6H2,1-5H3,(H,13,16)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
(2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide has a molecular weight of 292.40 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide is sourced from PubChem (CID 11066263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).