2-(1-aminoethyl)cyclohex-2-ene-1-thione

C8H13NS — CID 123458209

IUPAC2-(1-aminoethyl)cyclohex-2-ene-1-thione
SMILESCC(N)C1=CCCCC1=S
InChIInChI=1S/C8H13NS/c1-6(9)7-4-2-3-5-8(7)10/h4,6H,2-3,5,9H2,1H3
InChIKeyDVTRZHADSMYAMN-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.81
Rot. Bonds1

About 2-(1-aminoethyl)cyclohex-2-ene-1-thione

2-(1-aminoethyl)cyclohex-2-ene-1-thione (PubChem CID 123458209) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-(1-aminoethyl)cyclohex-2-ene-1-thione.

Molecular Properties

Compound Name2-(1-aminoethyl)cyclohex-2-ene-1-thione
PubChem CID123458209
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-(1-aminoethyl)cyclohex-2-ene-1-thione
SMILESCC(N)C1=CCCCC1=S
InChIInChI=1S/C8H13NS/c1-6(9)7-4-2-3-5-8(7)10/h4,6H,2-3,5,9H2,1H3
InChIKeyDVTRZHADSMYAMN-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(8-methyl-3,4-dihydronaphthalen-1-yl)ethanamine
CID 105442796
(1R)-1-(cyclopenten-1-yl)propan-1-amine
CID 82763490
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
N-propan-2-ylcyclopenten-1-amine
CID 57447311
1-pentan-2-ylcyclopentene
CID 21242449
2-(dimethoxymethyl)cyclohex-2-en-1-one
CID 130030381
2-(1-hydroxy-3-methylbutyl)cyclohex-2-en-1-one
CID 10856130
1-tert-butylcyclopentene
CID 13414410
(2R)-2-(cyclohexen-1-yloxy)propan-1-amine
CID 174454430
cycloocten-1-yl-di(propan-2-yloxy)borane
CID 159470361
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)cyclohex-2-ene-1-thione?
The IUPAC name of 2-(1-aminoethyl)cyclohex-2-ene-1-thione (CID 123458209) is 2-(1-aminoethyl)cyclohex-2-ene-1-thione.
What is the SMILES notation for 2-(1-aminoethyl)cyclohex-2-ene-1-thione?
The canonical SMILES for 2-(1-aminoethyl)cyclohex-2-ene-1-thione is CC(N)C1=CCCCC1=S.
What is the InChIKey of 2-(1-aminoethyl)cyclohex-2-ene-1-thione?
The InChIKey is DVTRZHADSMYAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(9)7-4-2-3-5-8(7)10/h4,6H,2-3,5,9H2,1H3.
What are the key properties of 2-(1-aminoethyl)cyclohex-2-ene-1-thione?
2-(1-aminoethyl)cyclohex-2-ene-1-thione has a molecular weight of 155.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)cyclohex-2-ene-1-thione is sourced from PubChem (CID 123458209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).