5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol

C10H18N2S — CID 142213793

IUPAC5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol
SMILESC/C=N/C1=C(S)CC(N(C)C)CC1
InChIInChI=1S/C10H18N2S/c1-4-11-9-6-5-8(12(2)3)7-10(9)13/h4,8,13H,5-7H2,1-3H3/b11-4+
InChIKeyQUXBVBMGJXLXLM-NYYWCZLTSA-N
MW198.33 g/mol
LogP2.33
Rot. Bonds2

About 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol

5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol (PubChem CID 142213793) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol.

Molecular Properties

Compound Name5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol
PubChem CID142213793
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol
SMILESC/C=N/C1=C(S)CC(N(C)C)CC1
InChIInChI=1S/C10H18N2S/c1-4-11-9-6-5-8(12(2)3)7-10(9)13/h4,8,13H,5-7H2,1-3H3/b11-4+
InChIKeyQUXBVBMGJXLXLM-NYYWCZLTSA-N
XLogP2.33
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7R)-7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 15629517
(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 58289882
4-chloro-N,N-dimethyl-3-methylidenecyclohexan-1-amine
CID 90834219
2-bromo-6-N,6-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3,6-diamine
CID 114749214
6-(3-chlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67978432
8-(dimethylamino)-2,3,6,7,8,9-hexahydrobenzo[g]indole-1-carbaldehyde
CID 19032674
N-ethenyl-N-[(Z)-ethylideneamino]cyclopropanamine
CID 144786762
N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine
CID 143888403
(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486481
8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891794
(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
CID 140998240
N,N-dimethyl-6-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25125378

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol?
The IUPAC name of 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol (CID 142213793) is 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol.
What is the SMILES notation for 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol?
The canonical SMILES for 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol is C/C=N/C1=C(S)CC(N(C)C)CC1.
What is the InChIKey of 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol?
The InChIKey is QUXBVBMGJXLXLM-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-11-9-6-5-8(12(2)3)7-10(9)13/h4,8,13H,5-7H2,1-3H3/b11-4+.
What are the key properties of 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol?
5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol has a molecular weight of 198.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(ethylideneamino)cyclohexene-1-thiol is sourced from PubChem (CID 142213793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).