4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide

C16H32N4S — CID 60675444

IUPAC4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide
SMILESCC1CCCCC1NC(=S)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C16H32N4S/c1-14-6-4-5-7-15(14)17-16(21)20-12-10-19(11-13-20)9-8-18(2)3/h14-15H,4-13H2,1-3H3,(H,17,21)
InChIKeyAYSXZMYHPVYDNY-UHFFFAOYSA-N
MW312.53 g/mol
LogP1.62
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide

4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide (PubChem CID 60675444) has the molecular formula C16H32N4S and a molecular weight of 312.53 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide
PubChem CID60675444
Molecular FormulaC16H32N4S
Molecular Weight312.53 g/mol
Exact Mass312.23
IUPAC Name4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide
SMILESCC1CCCCC1NC(=S)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C16H32N4S/c1-14-6-4-5-7-15(14)17-16(21)20-12-10-19(11-13-20)9-8-18(2)3/h14-15H,4-13H2,1-3H3,(H,17,21)
InChIKeyAYSXZMYHPVYDNY-UHFFFAOYSA-N
XLogP1.62
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carbothioamide
CID 60675403
N-(2-methylcyclohexyl)piperidine-1-carbothioamide
CID 43384639
N-[(1R,2S)-2-methylcyclohexyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 8669591
cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 113073602
N-(2-chlorophenyl)-2-[4-[[(1R,2R)-2-methylcyclohexyl]carbamothioyl]piperazin-1-yl]acetamide
CID 9214799
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
4-[2-(dimethylamino)ethyl]-N-(3-ethoxypropyl)piperazine-1-carbothioamide
CID 60675369
4-[2-(dimethylamino)ethyl]-N-hexylpiperazine-1-carbothioamide
CID 60675352
1-[2-(dimethylamino)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 129189230
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208841
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-methylcyclohexan-1-amine
CID 62888860
4-(4-methoxyphenyl)sulfonyl-N-[(1R,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide
CID 8745015

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide (CID 60675444) is 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide is CC1CCCCC1NC(=S)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide?
The InChIKey is AYSXZMYHPVYDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4S/c1-14-6-4-5-7-15(14)17-16(21)20-12-10-19(11-13-20)9-8-18(2)3/h14-15H,4-13H2,1-3H3,(H,17,21).
What are the key properties of 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide?
4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide has a molecular weight of 312.53 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-N-(2-methylcyclohexyl)piperazine-1-carbothioamide is sourced from PubChem (CID 60675444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).