N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide

C12H17N3S — CID 71366333

IUPACN-(piperidin-1-ylmethyl)pyridine-2-carbothioamide
SMILESS=C(NCN1CCCCC1)c1ccccn1
InChIInChI=1S/C12H17N3S/c16-12(11-6-2-3-7-13-11)14-10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2,(H,14,16)
InChIKeyZSSSKXPQMMVBDO-UHFFFAOYSA-N
MW235.36 g/mol
LogP1.79
Rot. Bonds3

About N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide

N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide (PubChem CID 71366333) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide.

Molecular Properties

Compound NameN-(piperidin-1-ylmethyl)pyridine-2-carbothioamide
PubChem CID71366333
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-(piperidin-1-ylmethyl)pyridine-2-carbothioamide
SMILESS=C(NCN1CCCCC1)c1ccccn1
InChIInChI=1S/C12H17N3S/c16-12(11-6-2-3-7-13-11)14-10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2,(H,14,16)
InChIKeyZSSSKXPQMMVBDO-UHFFFAOYSA-N
XLogP1.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.79
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

2-pyridin-2-yl-N-(pyrrolidin-1-ylmethyl)-4-sulfanylidenepent-2-enamide
CID 54542448
1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea
CID 3002933
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
N-[4-(pyridine-2-carbothioylamino)phenyl]pyridine-2-carbothioamide
CID 15592021
N-[(Z)-1-pyridin-2-ylethylideneamino]azocane-1-carbothioamide
CID 6810515
oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one
CID 71442189
gallium N-(1-pyridin-2-ylethylideneamino)azepane-1-carbothioamide
CID 50910578
N'-(piperidine-1-carbonyl)pyridine-2-carbohydrazide
CID 141057389
N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 19710906
1-(azepan-1-yl)-2-pyridin-2-ylethane-1,2-dione
CID 101170127
pyridine-2-carbothioamide;hydrochloride
CID 57440257

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide?
The IUPAC name of N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide (CID 71366333) is N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide.
What is the SMILES notation for N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide?
The canonical SMILES for N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide is S=C(NCN1CCCCC1)c1ccccn1.
What is the InChIKey of N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide?
The InChIKey is ZSSSKXPQMMVBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c16-12(11-6-2-3-7-13-11)14-10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2,(H,14,16).
What are the key properties of N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide?
N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide has a molecular weight of 235.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide is sourced from PubChem (CID 71366333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).