4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide

C15H30N2O2S — CID 165399204

IUPAC4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide
SMILESCSN(C)[C@@H](CCCCNC(=O)CCC(C)C)C(C)=O
InChIInChI=1S/C15H30N2O2S/c1-12(2)9-10-15(19)16-11-7-6-8-14(13(3)18)17(4)20-5/h12,14H,6-11H2,1-5H3,(H,16,19)/t14-/m0/s1
InChIKeyUMJCUGJQFWLGON-AWEZNQCLSA-N
MW302.48 g/mol
LogP2.88
Rot. Bonds11

About 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide

4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide (PubChem CID 165399204) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide
PubChem CID165399204
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide
SMILESCSN(C)[C@@H](CCCCNC(=O)CCC(C)C)C(C)=O
InChIInChI=1S/C15H30N2O2S/c1-12(2)9-10-15(19)16-11-7-6-8-14(13(3)18)17(4)20-5/h12,14H,6-11H2,1-5H3,(H,16,19)/t14-/m0/s1
InChIKeyUMJCUGJQFWLGON-AWEZNQCLSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
4-methyl-N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]pentanamide
CID 146520641
N-butyl-7-methyloctanamide
CID 154028337
N-hexyl-6-methylheptanamide
CID 141197249
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
CID 113122880
4-methyl-N-[3-(5-methylsulfanylpentanoylamino)propyl]pentanamide
CID 155456056
N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide
CID 172594400
N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
CID 169103058
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide
CID 167059947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide?
The IUPAC name of 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide (CID 165399204) is 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide?
The canonical SMILES for 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide is CSN(C)[C@@H](CCCCNC(=O)CCC(C)C)C(C)=O.
What is the InChIKey of 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide?
The InChIKey is UMJCUGJQFWLGON-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-12(2)9-10-15(19)16-11-7-6-8-14(13(3)18)17(4)20-5/h12,14H,6-11H2,1-5H3,(H,16,19)/t14-/m0/s1.
What are the key properties of 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide?
4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide has a molecular weight of 302.48 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5S)-5-[methyl(methylsulfanyl)amino]-6-oxoheptyl]pentanamide is sourced from PubChem (CID 165399204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).