N-butyl-N-methyl-6-sulfanylhexanamide

C11H23NOS — CID 119087226

IUPACN-butyl-N-methyl-6-sulfanylhexanamide
SMILESCCCCN(C)C(=O)CCCCCS
InChIInChI=1S/C11H23NOS/c1-3-4-9-12(2)11(13)8-6-5-7-10-14/h14H,3-10H2,1-2H3
InChIKeyVCBFYDLPUJYTEO-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.74
Rot. Bonds8

About N-butyl-N-methyl-6-sulfanylhexanamide

N-butyl-N-methyl-6-sulfanylhexanamide (PubChem CID 119087226) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-butyl-N-methyl-6-sulfanylhexanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-sulfanylhexanamide
PubChem CID119087226
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-butyl-N-methyl-6-sulfanylhexanamide
SMILESCCCCN(C)C(=O)CCCCCS
InChIInChI=1S/C11H23NOS/c1-3-4-9-12(2)11(13)8-6-5-7-10-14/h14H,3-10H2,1-2H3
InChIKeyVCBFYDLPUJYTEO-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-sulfanylhexanamide?
The IUPAC name of N-butyl-N-methyl-6-sulfanylhexanamide (CID 119087226) is N-butyl-N-methyl-6-sulfanylhexanamide.
What is the SMILES notation for N-butyl-N-methyl-6-sulfanylhexanamide?
The canonical SMILES for N-butyl-N-methyl-6-sulfanylhexanamide is CCCCN(C)C(=O)CCCCCS.
What is the InChIKey of N-butyl-N-methyl-6-sulfanylhexanamide?
The InChIKey is VCBFYDLPUJYTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-4-9-12(2)11(13)8-6-5-7-10-14/h14H,3-10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-6-sulfanylhexanamide?
N-butyl-N-methyl-6-sulfanylhexanamide has a molecular weight of 217.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-sulfanylhexanamide is sourced from PubChem (CID 119087226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).