2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide

C11H24N2O4S — CID 115410186

IUPAC2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
SMILESCC(C)CONC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-8(2)6-10(13-18(5,15)16)11(14)12-17-7-9(3)4/h8-10,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyYWRUNQBQYZHEGW-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.65
Rot. Bonds8

About 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide

2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide (PubChem CID 115410186) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
PubChem CID115410186
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
SMILESCC(C)CONC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-8(2)6-10(13-18(5,15)16)11(14)12-17-7-9(3)4/h8-10,13H,6-7H2,1-5H3,(H,12,14)
InChIKeyYWRUNQBQYZHEGW-UHFFFAOYSA-N
XLogP0.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
tert-butyl (2S)-2-(methanesulfonamido)-4-methylpentanoate
CID 86641981
(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
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
2-amino-N-(2-methylpropoxy)propanamide
CID 82721936
3-chloro-2-methyl-N-(2-methylpropoxy)propanamide
CID 82715896
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]sulfamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 139051832

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide?
The IUPAC name of 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide (CID 115410186) is 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide.
What is the SMILES notation for 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide?
The canonical SMILES for 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide is CC(C)CONC(=O)C(CC(C)C)NS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide?
The InChIKey is YWRUNQBQYZHEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-8(2)6-10(13-18(5,15)16)11(14)12-17-7-9(3)4/h8-10,13H,6-7H2,1-5H3,(H,12,14).
What are the key properties of 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide?
2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide has a molecular weight of 280.39 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide is sourced from PubChem (CID 115410186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).