N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide

C15H19N3S — CID 10492515

IUPACN-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide
SMILESS=C(NCc1c[nH]c2ccccc12)N1CCCCC1
InChIInChI=1S/C15H19N3S/c19-15(18-8-4-1-5-9-18)17-11-12-10-16-14-7-3-2-6-13(12)14/h2-3,6-7,10,16H,1,4-5,8-9,11H2,(H,17,19)
InChIKeyUTGNVYXFGKREMT-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.03
Rot. Bonds2

About N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide

N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide (PubChem CID 10492515) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide
PubChem CID10492515
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide
SMILESS=C(NCc1c[nH]c2ccccc12)N1CCCCC1
InChIInChI=1S/C15H19N3S/c19-15(18-8-4-1-5-9-18)17-11-12-10-16-14-7-3-2-6-13(12)14/h2-3,6-7,10,16H,1,4-5,8-9,11H2,(H,17,19)
InChIKeyUTGNVYXFGKREMT-UHFFFAOYSA-N
XLogP3.03
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-3-ylmethyl)benzenecarbothioamide
CID 58171206
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
1H-indol-3-yl(pyrrolidin-1-yl)methanethione
CID 750123
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 119955806
(2S)-2-amino-3-(1H-indol-3-yl)-1-piperidin-1-ylpropan-1-one
CID 770507
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide?
The IUPAC name of N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide (CID 10492515) is N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide?
The canonical SMILES for N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide is S=C(NCc1c[nH]c2ccccc12)N1CCCCC1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide?
The InChIKey is UTGNVYXFGKREMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c19-15(18-8-4-1-5-9-18)17-11-12-10-16-14-7-3-2-6-13(12)14/h2-3,6-7,10,16H,1,4-5,8-9,11H2,(H,17,19).
What are the key properties of N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide?
N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide has a molecular weight of 273.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 10492515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).