N-cyclohexyl-2-sulfanylacetamide

C8H15NOS — CID 15730054

IUPACN-cyclohexyl-2-sulfanylacetamide
SMILESO=C(CS)NC1CCCCC1
InChIInChI=1S/C8H15NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h7,11H,1-6H2,(H,9,10)
InChIKeyNALPFQIHOXTLGH-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.37
Rot. Bonds2

About N-cyclohexyl-2-sulfanylacetamide

N-cyclohexyl-2-sulfanylacetamide (PubChem CID 15730054) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-cyclohexyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-sulfanylacetamide
PubChem CID15730054
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-cyclohexyl-2-sulfanylacetamide
SMILESO=C(CS)NC1CCCCC1
InChIInChI=1S/C8H15NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h7,11H,1-6H2,(H,9,10)
InChIKeyNALPFQIHOXTLGH-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.37
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-2-sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-sulfanylacetamide (CID 15730054) is N-cyclohexyl-2-sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-sulfanylacetamide is O=C(CS)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-sulfanylacetamide?
The InChIKey is NALPFQIHOXTLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h7,11H,1-6H2,(H,9,10).
What are the key properties of N-cyclohexyl-2-sulfanylacetamide?
N-cyclohexyl-2-sulfanylacetamide has a molecular weight of 173.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-sulfanylacetamide is sourced from PubChem (CID 15730054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).