2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione

C14H26N2S — CID 85093242

IUPAC2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione
SMILESNC(CC1CCCCC1)C(=S)N1CCCCC1
InChIInChI=1S/C14H26N2S/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h12-13H,1-11,15H2
InChIKeyLCIVAXWPMRROGC-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.10
Rot. Bonds3

About 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione

2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione (PubChem CID 85093242) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione
PubChem CID85093242
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione
SMILESNC(CC1CCCCC1)C(=S)N1CCCCC1
InChIInChI=1S/C14H26N2S/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h12-13H,1-11,15H2
InChIKeyLCIVAXWPMRROGC-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-cyclohexylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 138041082
(3S)-3-amino-4-cyclohexyl-1-cyclopropylbut-1-ene-1,2-diol
CID 67572684
3-amino-4-cyclohexylbutan-2-one
CID 20668322
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
CID 62314874
(2R)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride
CID 56846378
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride
CID 53482072
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide
CID 166777668

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione?
The IUPAC name of 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione (CID 85093242) is 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione.
What is the SMILES notation for 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione?
The canonical SMILES for 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione is NC(CC1CCCCC1)C(=S)N1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione?
The InChIKey is LCIVAXWPMRROGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c15-13(11-12-7-3-1-4-8-12)14(17)16-9-5-2-6-10-16/h12-13H,1-11,15H2.
What are the key properties of 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione?
2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione has a molecular weight of 254.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione is sourced from PubChem (CID 85093242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).