N-methyl-6-sulfanylhexanamide

C7H15NOS — CID 58262294

IUPACN-methyl-6-sulfanylhexanamide
SMILESCNC(=O)CCCCCS
InChIInChI=1S/C7H15NOS/c1-8-7(9)5-3-2-4-6-10/h10H,2-6H2,1H3,(H,8,9)
InChIKeyXAOSLJWVCNQLHV-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.22
Rot. Bonds5

About N-methyl-6-sulfanylhexanamide

N-methyl-6-sulfanylhexanamide (PubChem CID 58262294) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-methyl-6-sulfanylhexanamide.

Molecular Properties

Compound NameN-methyl-6-sulfanylhexanamide
PubChem CID58262294
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-methyl-6-sulfanylhexanamide
SMILESCNC(=O)CCCCCS
InChIInChI=1S/C7H15NOS/c1-8-7(9)5-3-2-4-6-10/h10H,2-6H2,1H3,(H,8,9)
InChIKeyXAOSLJWVCNQLHV-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.22
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

N,N'-dimethylheptanediamide
CID 15166696
N-methyl-N'-sulfanylnonanediamide
CID 143363504
N-methyl-3-sulfanylpropanamide
CID 642906
N-hydroxy-31-sulfanylhentriacontanamide
CID 87684217
N-methylheptacosanamide
CID 18175889
N-hydroxy-26-sulfanylhexacosanamide
CID 87681311
N-hydroxy-11-sulfanylundecanamide
CID 87682134
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
6-(dimethylamino)-N-methylhexanamide
CID 58019688
CID 59445332
CID 59445332
ethane;N-methyltetradecanamide
CID 153349961

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-sulfanylhexanamide?
The IUPAC name of N-methyl-6-sulfanylhexanamide (CID 58262294) is N-methyl-6-sulfanylhexanamide.
What is the SMILES notation for N-methyl-6-sulfanylhexanamide?
The canonical SMILES for N-methyl-6-sulfanylhexanamide is CNC(=O)CCCCCS.
What is the InChIKey of N-methyl-6-sulfanylhexanamide?
The InChIKey is XAOSLJWVCNQLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-8-7(9)5-3-2-4-6-10/h10H,2-6H2,1H3,(H,8,9).
What are the key properties of N-methyl-6-sulfanylhexanamide?
N-methyl-6-sulfanylhexanamide has a molecular weight of 161.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-sulfanylhexanamide is sourced from PubChem (CID 58262294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).