(5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine

C10H17NS — CID 89073703

IUPAC(5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine
SMILESC=C[C@@H]1CC(N)CC(C)=C1SC
InChIInChI=1S/C10H17NS/c1-4-8-6-9(11)5-7(2)10(8)12-3/h4,8-9H,1,5-6,11H2,2-3H3/t8-,9?/m1/s1
InChIKeyCOCFVKOFDCNTPK-VEDVMXKPSA-N
MW183.32 g/mol
LogP2.55
Rot. Bonds2

About (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine

(5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine (PubChem CID 89073703) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine
PubChem CID89073703
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine
SMILESC=C[C@@H]1CC(N)CC(C)=C1SC
InChIInChI=1S/C10H17NS/c1-4-8-6-9(11)5-7(2)10(8)12-3/h4,8-9H,1,5-6,11H2,2-3H3/t8-,9?/m1/s1
InChIKeyCOCFVKOFDCNTPK-VEDVMXKPSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine?
The IUPAC name of (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine (CID 89073703) is (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine.
What is the SMILES notation for (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine?
The canonical SMILES for (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine is C=C[C@@H]1CC(N)CC(C)=C1SC.
What is the InChIKey of (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine?
The InChIKey is COCFVKOFDCNTPK-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-8-6-9(11)5-7(2)10(8)12-3/h4,8-9H,1,5-6,11H2,2-3H3/t8-,9?/m1/s1.
What are the key properties of (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine?
(5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-3-methyl-4-methylsulfanylcyclohex-3-en-1-amine is sourced from PubChem (CID 89073703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).