N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide

C15H29N3S — CID 115583674

IUPACN-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H29N3S/c1-13(2)12-16-15(19)18-10-6-14(7-11-18)17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyQSLHHFKJABYVCC-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.47
Rot. Bonds3

About N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide

N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide (PubChem CID 115583674) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide
PubChem CID115583674
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H29N3S/c1-13(2)12-16-15(19)18-10-6-14(7-11-18)17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyQSLHHFKJABYVCC-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.47
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

4-tert-butyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 113236850
2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 17276176
(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 94411156
3-(dimethylamino)-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115609923
N-(2-methylpropyl)-1,4-thiazepane-4-carbothioamide
CID 115587662
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
3,4-dimethyl-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115662509
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 107227325
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 115623852
N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-1-carbothioamide
CID 113230370

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide?
The IUPAC name of N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide (CID 115583674) is N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide.
What is the SMILES notation for N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide?
The canonical SMILES for N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide is CC(C)CNC(=S)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide?
The InChIKey is QSLHHFKJABYVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-13(2)12-16-15(19)18-10-6-14(7-11-18)17-8-4-3-5-9-17/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide?
N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide has a molecular weight of 283.48 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide is sourced from PubChem (CID 115583674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).