2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide

C16H24N2S — CID 173423133

IUPAC2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide
SMILESCCCN1CCC(NC(=S)c2ccccc2C)CC1
InChIInChI=1S/C16H24N2S/c1-3-10-18-11-8-14(9-12-18)17-16(19)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyGJDCEFKURZRDNH-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.13
Rot. Bonds4

About 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide

2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide (PubChem CID 173423133) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide.

Molecular Properties

Compound Name2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide
PubChem CID173423133
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide
SMILESCCCN1CCC(NC(=S)c2ccccc2C)CC1
InChIInChI=1S/C16H24N2S/c1-3-10-18-11-8-14(9-12-18)17-16(19)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyGJDCEFKURZRDNH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.13
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

(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
4-(2-hydroxybenzoyl)-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 127294442
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017989
N-(2,5-dimethylpyrrol-1-yl)-1-propylpiperidin-4-amine
CID 79090139
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
1-ethyl-2-[2-(2-methylphenoxy)ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019928
1-ethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111019127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide?
The IUPAC name of 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide (CID 173423133) is 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide.
What is the SMILES notation for 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide?
The canonical SMILES for 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide is CCCN1CCC(NC(=S)c2ccccc2C)CC1.
What is the InChIKey of 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide?
The InChIKey is GJDCEFKURZRDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-3-10-18-11-8-14(9-12-18)17-16(19)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide?
2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide has a molecular weight of 276.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-propylpiperidin-4-yl)benzenecarbothioamide is sourced from PubChem (CID 173423133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).