4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol

C8H15NS — CID 170198684

IUPAC4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol
SMILESCNC1C=C(C)CCC1S
InChIInChI=1S/C8H15NS/c1-6-3-4-8(10)7(5-6)9-2/h5,7-10H,3-4H2,1-2H3
InChIKeyUZYRKIRHFXESII-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.61
Rot. Bonds1

About 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol

4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol (PubChem CID 170198684) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol.

Molecular Properties

Compound Name4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol
PubChem CID170198684
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol
SMILESCNC1C=C(C)CCC1S
InChIInChI=1S/C8H15NS/c1-6-3-4-8(10)7(5-6)9-2/h5,7-10H,3-4H2,1-2H3
InChIKeyUZYRKIRHFXESII-UHFFFAOYSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol?
The IUPAC name of 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol (CID 170198684) is 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol.
What is the SMILES notation for 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol?
The canonical SMILES for 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol is CNC1C=C(C)CCC1S.
What is the InChIKey of 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol?
The InChIKey is UZYRKIRHFXESII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6-3-4-8(10)7(5-6)9-2/h5,7-10H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol?
4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol has a molecular weight of 157.28 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)cyclohex-3-ene-1-thiol is sourced from PubChem (CID 170198684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).