4-methylsulfanylcyclohex-2-en-1-amine

C7H13NS — CID 90346905

IUPAC4-methylsulfanylcyclohex-2-en-1-amine
SMILESCSC1C=CC(N)CC1
InChIInChI=1S/C7H13NS/c1-9-7-4-2-6(8)3-5-7/h2,4,6-7H,3,5,8H2,1H3
InChIKeyNQZWBSLUJPTMBJ-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.40
Rot. Bonds1

About 4-methylsulfanylcyclohex-2-en-1-amine

4-methylsulfanylcyclohex-2-en-1-amine (PubChem CID 90346905) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 4-methylsulfanylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-methylsulfanylcyclohex-2-en-1-amine
PubChem CID90346905
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name4-methylsulfanylcyclohex-2-en-1-amine
SMILESCSC1C=CC(N)CC1
InChIInChI=1S/C7H13NS/c1-9-7-4-2-6(8)3-5-7/h2,4,6-7H,3,5,8H2,1H3
InChIKeyNQZWBSLUJPTMBJ-UHFFFAOYSA-N
XLogP1.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.40
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 4-methylsulfanylcyclohex-2-en-1-amine?
The IUPAC name of 4-methylsulfanylcyclohex-2-en-1-amine (CID 90346905) is 4-methylsulfanylcyclohex-2-en-1-amine.
What is the SMILES notation for 4-methylsulfanylcyclohex-2-en-1-amine?
The canonical SMILES for 4-methylsulfanylcyclohex-2-en-1-amine is CSC1C=CC(N)CC1.
What is the InChIKey of 4-methylsulfanylcyclohex-2-en-1-amine?
The InChIKey is NQZWBSLUJPTMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-9-7-4-2-6(8)3-5-7/h2,4,6-7H,3,5,8H2,1H3.
What are the key properties of 4-methylsulfanylcyclohex-2-en-1-amine?
4-methylsulfanylcyclohex-2-en-1-amine has a molecular weight of 143.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylcyclohex-2-en-1-amine is sourced from PubChem (CID 90346905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).