2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide

C12H24N2O3S — CID 113236515

IUPAC2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide
SMILESC/C=C/CCNC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-5-6-7-8-13-12(15)11(9-10(2)3)14-18(4,16)17/h5-6,10-11,14H,7-9H2,1-4H3,(H,13,15)/b6-5+
InChIKeyPKVFJKDVHDOHFO-AATRIKPKSA-N
MW276.40 g/mol
LogP1.03
Rot. Bonds8

About 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide

2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide (PubChem CID 113236515) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide
PubChem CID113236515
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide
SMILESC/C=C/CCNC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-5-6-7-8-13-12(15)11(9-10(2)3)14-18(4,16)17/h5-6,10-11,14H,7-9H2,1-4H3,(H,13,15)/b6-5+
InChIKeyPKVFJKDVHDOHFO-AATRIKPKSA-N
XLogP1.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
(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
3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332
2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103755898
2-(methanesulfonamido)-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pentanamide
CID 64546631
N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103824958

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide?
The IUPAC name of 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide (CID 113236515) is 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide.
What is the SMILES notation for 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide?
The canonical SMILES for 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide is C/C=C/CCNC(=O)C(CC(C)C)NS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide?
The InChIKey is PKVFJKDVHDOHFO-AATRIKPKSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-5-6-7-8-13-12(15)11(9-10(2)3)14-18(4,16)17/h5-6,10-11,14H,7-9H2,1-4H3,(H,13,15)/b6-5+.
What are the key properties of 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide?
2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide has a molecular weight of 276.40 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide is sourced from PubChem (CID 113236515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).