N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide

C14H27N3S — CID 113224022

IUPACN-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
SMILESCN(C)C1CCN(C(=S)NC2CCCCC2)CC1
InChIInChI=1S/C14H27N3S/c1-16(2)13-8-10-17(11-9-13)14(18)15-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyHZSRGEGRJMIGML-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.22
Rot. Bonds2

About N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide

N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide (PubChem CID 113224022) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
PubChem CID113224022
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
SMILESCN(C)C1CCN(C(=S)NC2CCCCC2)CC1
InChIInChI=1S/C14H27N3S/c1-16(2)13-8-10-17(11-9-13)14(18)15-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyHZSRGEGRJMIGML-UHFFFAOYSA-N
XLogP2.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.22
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

Dicyclohexylthiourea
CID 727200
N-cyclohexylpiperidine-1-carbothioamide
CID 2725476
N-cyclohexyl-N'-[2-(dimethylamino)ethyl]thiourea
CID 2207101
3-Cyclohexyl-1,1-bis(2-methylpropyl)thiourea
CID 724237
1-Butyltetrahydro-2(1H)-pyrimidinethione
CID 3000716
1-Cyclohexyl-3-methylthiourea
CID 2725495
N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 3973700
N-cyclopropyl-N'-(1-methyl-4-piperidinyl)thiourea
CID 970803
N-cyclohexyl-4-methylpiperidine-1-carbothioamide
CID 724235
(1-Methylpiperidin-4-yl)thiourea
CID 23041969
N,4-dicyclohexyl-1-piperazinecarbothioamide
CID 2223853
(Cyclohexylamino)(2-ethylpiperidyl)methane-1-thione
CID 4534164

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide?
The IUPAC name of N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide (CID 113224022) is N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide is CN(C)C1CCN(C(=S)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide?
The InChIKey is HZSRGEGRJMIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-16(2)13-8-10-17(11-9-13)14(18)15-12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide?
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide has a molecular weight of 269.46 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide is sourced from PubChem (CID 113224022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).