N-cyclohexyl-3-sulfanylpropanamide

C9H17NOS — CID 14618019

IUPACN-cyclohexyl-3-sulfanylpropanamide
SMILESO=C(CCS)NC1CCCCC1
InChIInChI=1S/C9H17NOS/c11-9(6-7-12)10-8-4-2-1-3-5-8/h8,12H,1-7H2,(H,10,11)
InChIKeyIILDNJFHFXLQQU-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.76
Rot. Bonds3

About N-cyclohexyl-3-sulfanylpropanamide

N-cyclohexyl-3-sulfanylpropanamide (PubChem CID 14618019) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-cyclohexyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-sulfanylpropanamide
PubChem CID14618019
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-cyclohexyl-3-sulfanylpropanamide
SMILESO=C(CCS)NC1CCCCC1
InChIInChI=1S/C9H17NOS/c11-9(6-7-12)10-8-4-2-1-3-5-8/h8,12H,1-7H2,(H,10,11)
InChIKeyIILDNJFHFXLQQU-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-sulfanylpropanamide?
The IUPAC name of N-cyclohexyl-3-sulfanylpropanamide (CID 14618019) is N-cyclohexyl-3-sulfanylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-sulfanylpropanamide?
The canonical SMILES for N-cyclohexyl-3-sulfanylpropanamide is O=C(CCS)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-sulfanylpropanamide?
The InChIKey is IILDNJFHFXLQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c11-9(6-7-12)10-8-4-2-1-3-5-8/h8,12H,1-7H2,(H,10,11).
What are the key properties of N-cyclohexyl-3-sulfanylpropanamide?
N-cyclohexyl-3-sulfanylpropanamide has a molecular weight of 187.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-sulfanylpropanamide is sourced from PubChem (CID 14618019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).