N-cyclopropyl-2-propylpiperidine-1-carbothioamide

C12H22N2S — CID 104587647

IUPACN-cyclopropyl-2-propylpiperidine-1-carbothioamide
SMILESCCCC1CCCCN1C(=S)NC1CC1
InChIInChI=1S/C12H22N2S/c1-2-5-11-6-3-4-9-14(11)12(15)13-10-7-8-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyMAVCLUYNTPYJPX-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.68
Rot. Bonds3

About N-cyclopropyl-2-propylpiperidine-1-carbothioamide

N-cyclopropyl-2-propylpiperidine-1-carbothioamide (PubChem CID 104587647) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-cyclopropyl-2-propylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-2-propylpiperidine-1-carbothioamide
PubChem CID104587647
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-cyclopropyl-2-propylpiperidine-1-carbothioamide
SMILESCCCC1CCCCN1C(=S)NC1CC1
InChIInChI=1S/C12H22N2S/c1-2-5-11-6-3-4-9-14(11)12(15)13-10-7-8-10/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyMAVCLUYNTPYJPX-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-propylpiperidine-1-carbothioamide?
The IUPAC name of N-cyclopropyl-2-propylpiperidine-1-carbothioamide (CID 104587647) is N-cyclopropyl-2-propylpiperidine-1-carbothioamide.
What is the SMILES notation for N-cyclopropyl-2-propylpiperidine-1-carbothioamide?
The canonical SMILES for N-cyclopropyl-2-propylpiperidine-1-carbothioamide is CCCC1CCCCN1C(=S)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-propylpiperidine-1-carbothioamide?
The InChIKey is MAVCLUYNTPYJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-2-5-11-6-3-4-9-14(11)12(15)13-10-7-8-10/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-2-propylpiperidine-1-carbothioamide?
N-cyclopropyl-2-propylpiperidine-1-carbothioamide has a molecular weight of 226.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-propylpiperidine-1-carbothioamide is sourced from PubChem (CID 104587647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).