N-(7-methyloctyl)-3-sulfanylpropanamide

C12H25NOS — CID 107818548

IUPACN-(7-methyloctyl)-3-sulfanylpropanamide
SMILESCC(C)CCCCCCNC(=O)CCS
InChIInChI=1S/C12H25NOS/c1-11(2)7-5-3-4-6-9-13-12(14)8-10-15/h11,15H,3-10H2,1-2H3,(H,13,14)
InChIKeyVSJPEHVOBMBMLC-UHFFFAOYSA-N
MW231.40 g/mol
LogP3.03
Rot. Bonds9

About N-(7-methyloctyl)-3-sulfanylpropanamide

N-(7-methyloctyl)-3-sulfanylpropanamide (PubChem CID 107818548) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-(7-methyloctyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(7-methyloctyl)-3-sulfanylpropanamide
PubChem CID107818548
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-(7-methyloctyl)-3-sulfanylpropanamide
SMILESCC(C)CCCCCCNC(=O)CCS
InChIInChI=1S/C12H25NOS/c1-11(2)7-5-3-4-6-9-13-12(14)8-10-15/h11,15H,3-10H2,1-2H3,(H,13,14)
InChIKeyVSJPEHVOBMBMLC-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
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
N-hexyl-6-methylheptanamide
CID 141197249
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
N-(7-methyloctyl)-4-oxododecanamide
CID 165096838
N-butyl-7-methyloctanamide
CID 154028337
N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide
CID 160622179
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
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)-3-sulfanylpropanamide?
The IUPAC name of N-(7-methyloctyl)-3-sulfanylpropanamide (CID 107818548) is N-(7-methyloctyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(7-methyloctyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(7-methyloctyl)-3-sulfanylpropanamide is CC(C)CCCCCCNC(=O)CCS.
What is the InChIKey of N-(7-methyloctyl)-3-sulfanylpropanamide?
The InChIKey is VSJPEHVOBMBMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-11(2)7-5-3-4-6-9-13-12(14)8-10-15/h11,15H,3-10H2,1-2H3,(H,13,14).
What are the key properties of N-(7-methyloctyl)-3-sulfanylpropanamide?
N-(7-methyloctyl)-3-sulfanylpropanamide has a molecular weight of 231.40 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyloctyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107818548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).