N-hexyl-3-methylsulfanylpropanamide

C10H21NOS — CID 11658492

IUPACN-hexyl-3-methylsulfanylpropanamide
SMILESCCCCCCNC(=O)CCSC
InChIInChI=1S/C10H21NOS/c1-3-4-5-6-8-11-10(12)7-9-13-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyKCCXJPJDQGUACB-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.44
Rot. Bonds8

About N-hexyl-3-methylsulfanylpropanamide

N-hexyl-3-methylsulfanylpropanamide (PubChem CID 11658492) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-hexyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-hexyl-3-methylsulfanylpropanamide
PubChem CID11658492
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-hexyl-3-methylsulfanylpropanamide
SMILESCCCCCCNC(=O)CCSC
InChIInChI=1S/C10H21NOS/c1-3-4-5-6-8-11-10(12)7-9-13-2/h3-9H2,1-2H3,(H,11,12)
InChIKeyKCCXJPJDQGUACB-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methylsulfanylpropanamide?
The IUPAC name of N-hexyl-3-methylsulfanylpropanamide (CID 11658492) is N-hexyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-hexyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-hexyl-3-methylsulfanylpropanamide is CCCCCCNC(=O)CCSC.
What is the InChIKey of N-hexyl-3-methylsulfanylpropanamide?
The InChIKey is KCCXJPJDQGUACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-4-5-6-8-11-10(12)7-9-13-2/h3-9H2,1-2H3,(H,11,12).
What are the key properties of N-hexyl-3-methylsulfanylpropanamide?
N-hexyl-3-methylsulfanylpropanamide has a molecular weight of 203.35 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 11658492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).