N-phenylpiperidine-1-carbothioamide

C12H16N2S — CID 698365

IUPACN-phenylpiperidine-1-carbothioamide
SMILESS=C(Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C12H16N2S/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,15)
InChIKeyVYTYEDNCIFTZDH-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.87
Rot. Bonds1

About N-phenylpiperidine-1-carbothioamide

N-phenylpiperidine-1-carbothioamide (PubChem CID 698365) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-phenylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-phenylpiperidine-1-carbothioamide
PubChem CID698365
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-phenylpiperidine-1-carbothioamide
SMILESS=C(Nc1ccccc1)N1CCCCC1
InChIInChI=1S/C12H16N2S/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,15)
InChIKeyVYTYEDNCIFTZDH-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-phenylpiperidine-1-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylthiourea
CID 676454
Diphenylthiourea
CID 700999
1-Phenylpiperazine
CID 7096
1-Allyl-3-phenyl-2-thiourea
CID 1549745
1-Methyl-3-phenylthiourea
CID 698294
1,1-Diphenyl-2-thiourea
CID 3034143
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
Thiourea, N-ethyl-N-phenyl-
CID 825369
4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
CID 768560
4-Anilinopiperidine
CID 89982
1-Methyl-1-phenylthiourea
CID 723631
1-(p-(Dimethylamino)phenyl)thiourea
CID 2758514

Frequently Asked Questions

What is the IUPAC name of N-phenylpiperidine-1-carbothioamide?
The IUPAC name of N-phenylpiperidine-1-carbothioamide (CID 698365) is N-phenylpiperidine-1-carbothioamide.
What is the SMILES notation for N-phenylpiperidine-1-carbothioamide?
The canonical SMILES for N-phenylpiperidine-1-carbothioamide is S=C(Nc1ccccc1)N1CCCCC1.
What is the InChIKey of N-phenylpiperidine-1-carbothioamide?
The InChIKey is VYTYEDNCIFTZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,15).
What are the key properties of N-phenylpiperidine-1-carbothioamide?
N-phenylpiperidine-1-carbothioamide has a molecular weight of 220.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpiperidine-1-carbothioamide is sourced from PubChem (CID 698365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).