3-aminocyclohexane-1-thione

C6H11NS — CID 156588220

IUPAC3-aminocyclohexane-1-thione
SMILESNC1CCCC(=S)C1
InChIInChI=1S/C6H11NS/c7-5-2-1-3-6(8)4-5/h5H,1-4,7H2
InChIKeyJYFMQTLGZNGQBQ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.26
Rot. Bonds

About 3-aminocyclohexane-1-thione

3-aminocyclohexane-1-thione (PubChem CID 156588220) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 3-aminocyclohexane-1-thione.

Molecular Properties

Compound Name3-aminocyclohexane-1-thione
PubChem CID156588220
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name3-aminocyclohexane-1-thione
SMILESNC1CCCC(=S)C1
InChIInChI=1S/C6H11NS/c7-5-2-1-3-6(8)4-5/h5H,1-4,7H2
InChIKeyJYFMQTLGZNGQBQ-UHFFFAOYSA-N
XLogP1.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.26
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

3-methylidenecyclohexan-1-amine
CID 67574918
(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 57377025
3-prop-2-ynylidenecyclohexan-1-amine
CID 79880032
3-(3,4-dimethylcyclohexylidene)cyclohexan-1-amine
CID 79879726
(3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine
CID 116525441
CID 175698442
CID 175698442
azane;cyclopentanamine
CID 69254255
cyclopentanamine;platinum(2+)
CID 21144800
(4R)-4-aminoazepan-2-one
CID 18648126
(6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine
CID 55272060
azane;cycloheptanamine
CID 135353953
2-[(3-aminocyclohexylidene)amino]-1H-pyrimidin-6-one
CID 57223390

Frequently Asked Questions

What is the IUPAC name of 3-aminocyclohexane-1-thione?
The IUPAC name of 3-aminocyclohexane-1-thione (CID 156588220) is 3-aminocyclohexane-1-thione.
What is the SMILES notation for 3-aminocyclohexane-1-thione?
The canonical SMILES for 3-aminocyclohexane-1-thione is NC1CCCC(=S)C1.
What is the InChIKey of 3-aminocyclohexane-1-thione?
The InChIKey is JYFMQTLGZNGQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c7-5-2-1-3-6(8)4-5/h5H,1-4,7H2.
What are the key properties of 3-aminocyclohexane-1-thione?
3-aminocyclohexane-1-thione has a molecular weight of 129.23 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclohexane-1-thione is sourced from PubChem (CID 156588220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).