N-methyl-N'-sulfanylnonanediamide

C10H20N2O2S — CID 143363504

IUPACN-methyl-N'-sulfanylnonanediamide
SMILESCNC(=O)CCCCCCCC(=O)NS
InChIInChI=1S/C10H20N2O2S/c1-11-9(13)7-5-3-2-4-6-8-10(14)12-15/h15H,2-8H2,1H3,(H,11,13)(H,12,14)
InChIKeyQNEZEOQMLPWCLT-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.42
Rot. Bonds8

About N-methyl-N'-sulfanylnonanediamide

N-methyl-N'-sulfanylnonanediamide (PubChem CID 143363504) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-N'-sulfanylnonanediamide.

Molecular Properties

Compound NameN-methyl-N'-sulfanylnonanediamide
PubChem CID143363504
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-methyl-N'-sulfanylnonanediamide
SMILESCNC(=O)CCCCCCCC(=O)NS
InChIInChI=1S/C10H20N2O2S/c1-11-9(13)7-5-3-2-4-6-8-10(14)12-15/h15H,2-8H2,1H3,(H,11,13)(H,12,14)
InChIKeyQNEZEOQMLPWCLT-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N,N'-dimethylheptanediamide
CID 15166696
N-sulfanylundecanamide
CID 122641714
N-methyl-6-sulfanylhexanamide
CID 58262294
N-methylnonadecanamide
CID 2724821
N-methylheptacosanamide
CID 18175889
N-methyl-4-(sulfanylamino)butanamide
CID 59695052
N-methylundecanamide
CID 23297450
N-methyl-11-(methylamino)undecanamide
CID 59809097
CID 59445332
CID 59445332
ethane;N-methyltetradecanamide
CID 153349961
N-methyl-18-oxooctadecanamide
CID 145081820
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-sulfanylnonanediamide?
The IUPAC name of N-methyl-N'-sulfanylnonanediamide (CID 143363504) is N-methyl-N'-sulfanylnonanediamide.
What is the SMILES notation for N-methyl-N'-sulfanylnonanediamide?
The canonical SMILES for N-methyl-N'-sulfanylnonanediamide is CNC(=O)CCCCCCCC(=O)NS.
What is the InChIKey of N-methyl-N'-sulfanylnonanediamide?
The InChIKey is QNEZEOQMLPWCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-11-9(13)7-5-3-2-4-6-8-10(14)12-15/h15H,2-8H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N-methyl-N'-sulfanylnonanediamide?
N-methyl-N'-sulfanylnonanediamide has a molecular weight of 232.35 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-sulfanylnonanediamide is sourced from PubChem (CID 143363504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).