N-(2-methylcyclohexyl)piperidine-1-carbothioamide

C13H24N2S — CID 43384639

IUPACN-(2-methylcyclohexyl)piperidine-1-carbothioamide
SMILESCC1CCCCC1NC(=S)N1CCCCC1
InChIInChI=1S/C13H24N2S/c1-11-7-3-4-8-12(11)14-13(16)15-9-5-2-6-10-15/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyVSSRUWJENKCWKN-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.93
Rot. Bonds1

About N-(2-methylcyclohexyl)piperidine-1-carbothioamide

N-(2-methylcyclohexyl)piperidine-1-carbothioamide (PubChem CID 43384639) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)piperidine-1-carbothioamide
PubChem CID43384639
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-(2-methylcyclohexyl)piperidine-1-carbothioamide
SMILESCC1CCCCC1NC(=S)N1CCCCC1
InChIInChI=1S/C13H24N2S/c1-11-7-3-4-8-12(11)14-13(16)15-9-5-2-6-10-15/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyVSSRUWJENKCWKN-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.93
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

N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide
CID 60675444
N-[(1R,2S)-2-methylcyclohexyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 8669591
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
N-cyclopropylazocane-1-carbothioamide
CID 115570256
1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
CID 43384781
4-(4-methoxyphenyl)sulfonyl-N-[(1R,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide
CID 8745015
4-(2-fluorophenyl)sulfonyl-N-[(1S,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide
CID 8745724
N-(2-chlorophenyl)-2-[4-[[(1R,2R)-2-methylcyclohexyl]carbamothioyl]piperazin-1-yl]acetamide
CID 9214799
tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
CID 124750324
N-[(1R,2R)-2-methylcyclohexyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbothioamide
CID 8789877
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 95622503

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)piperidine-1-carbothioamide?
The IUPAC name of N-(2-methylcyclohexyl)piperidine-1-carbothioamide (CID 43384639) is N-(2-methylcyclohexyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(2-methylcyclohexyl)piperidine-1-carbothioamide?
The canonical SMILES for N-(2-methylcyclohexyl)piperidine-1-carbothioamide is CC1CCCCC1NC(=S)N1CCCCC1.
What is the InChIKey of N-(2-methylcyclohexyl)piperidine-1-carbothioamide?
The InChIKey is VSSRUWJENKCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11-7-3-4-8-12(11)14-13(16)15-9-5-2-6-10-15/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of N-(2-methylcyclohexyl)piperidine-1-carbothioamide?
N-(2-methylcyclohexyl)piperidine-1-carbothioamide has a molecular weight of 240.42 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)piperidine-1-carbothioamide is sourced from PubChem (CID 43384639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).