N-cyclohexylpiperidine-1-carbothioamide

C12H22N2S — CID 2725476

IUPACN-cyclohexylpiperidine-1-carbothioamide
SMILESS=C(NC1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H22N2S/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h11H,1-10H2,(H,13,15)
InChIKeyJOYWQNWRWYXSCW-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.68
Rot. Bonds1

About N-cyclohexylpiperidine-1-carbothioamide

N-cyclohexylpiperidine-1-carbothioamide (PubChem CID 2725476) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-cyclohexylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexylpiperidine-1-carbothioamide
PubChem CID2725476
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-cyclohexylpiperidine-1-carbothioamide
SMILESS=C(NC1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H22N2S/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h11H,1-10H2,(H,13,15)
InChIKeyJOYWQNWRWYXSCW-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dicyclohexylthiourea
CID 727200
1-Cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea
CID 2207101
3-Cyclohexyl-1,1-bis(2-methylpropyl)thiourea
CID 724237
1-Cyclohexyl-3-methylthiourea
CID 2725495
N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 3973700
1-Cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea
CID 970803
N-cyclohexyl-4-methylpiperidine-1-carbothioamide
CID 724235
N,4-dicyclohexyl-1-piperazinecarbothioamide
CID 2223853
(Cyclohexylamino)(2-ethylpiperidyl)methane-1-thione
CID 4534164
Dimethylzyklohexylthioharnstoff
CID 708395
3-Cyclohexyl-1,1-diethylthiourea
CID 727203
5-Cyclohexyl-1,3,5-triazinane-2-thione
CID 775005

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpiperidine-1-carbothioamide?
The IUPAC name of N-cyclohexylpiperidine-1-carbothioamide (CID 2725476) is N-cyclohexylpiperidine-1-carbothioamide.
What is the SMILES notation for N-cyclohexylpiperidine-1-carbothioamide?
The canonical SMILES for N-cyclohexylpiperidine-1-carbothioamide is S=C(NC1CCCCC1)N1CCCCC1.
What is the InChIKey of N-cyclohexylpiperidine-1-carbothioamide?
The InChIKey is JOYWQNWRWYXSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h11H,1-10H2,(H,13,15).
What are the key properties of N-cyclohexylpiperidine-1-carbothioamide?
N-cyclohexylpiperidine-1-carbothioamide has a molecular weight of 226.39 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpiperidine-1-carbothioamide is sourced from PubChem (CID 2725476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).