4-ethenyl-N-ethylsulfanylcyclohexan-1-amine

C10H19NS — CID 168924995

IUPAC4-ethenyl-N-ethylsulfanylcyclohexan-1-amine
SMILESC=CC1CCC(NSCC)CC1
InChIInChI=1S/C10H19NS/c1-3-9-5-7-10(8-6-9)11-12-4-2/h3,9-11H,1,4-8H2,2H3
InChIKeyDSLBKOXAPCNHJL-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.99
Rot. Bonds4

About 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine

4-ethenyl-N-ethylsulfanylcyclohexan-1-amine (PubChem CID 168924995) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethenyl-N-ethylsulfanylcyclohexan-1-amine
PubChem CID168924995
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name4-ethenyl-N-ethylsulfanylcyclohexan-1-amine
SMILESC=CC1CCC(NSCC)CC1
InChIInChI=1S/C10H19NS/c1-3-9-5-7-10(8-6-9)11-12-4-2/h3,9-11H,1,4-8H2,2H3
InChIKeyDSLBKOXAPCNHJL-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine?
The IUPAC name of 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine (CID 168924995) is 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine?
The canonical SMILES for 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine is C=CC1CCC(NSCC)CC1.
What is the InChIKey of 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine?
The InChIKey is DSLBKOXAPCNHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-9-5-7-10(8-6-9)11-12-4-2/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine?
4-ethenyl-N-ethylsulfanylcyclohexan-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-ethylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 168924995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).