2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide

C11H22N2S — CID 17276176

IUPAC2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCCCC1C
InChIInChI=1S/C11H22N2S/c1-9(2)8-12-11(14)13-7-5-4-6-10(13)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyDZQZQHKCQXMTDO-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.39
Rot. Bonds2

About 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide

2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide (PubChem CID 17276176) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
PubChem CID17276176
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCCCC1C
InChIInChI=1S/C11H22N2S/c1-9(2)8-12-11(14)13-7-5-4-6-10(13)3/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyDZQZQHKCQXMTDO-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methylpiperidine-1-carbothioamide
CID 19653959
3-methyl-N-(2-methylpropyl)thiomorpholine-4-carbothioamide
CID 115641145
3-methyl-N-(2-methylpropyl)-1,1-dioxo-1,4-thiazinane-4-carbothioamide
CID 102883053
N-cyclopropyl-2-methylpiperidine-1-carbothioamide
CID 19653964
N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide
CID 115583674
N-benzyl-2-methylpiperidine-1-carbothioamide
CID 4032139
N-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbothioamide
CID 17380928
2-methyl-N-(2-methylpropyl)azetidine-1-carboxamide
CID 130775761
2-methyl-N-(2,4,4-trimethylpentan-2-yl)azepane-1-carbothioamide
CID 115389298
3,4-dimethyl-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115662509
3,4-dimethyl-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 116508593
2-methyl-N-(2-methylpropyl)-3-oxopiperazine-1-carbothioamide
CID 116508580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide (CID 17276176) is 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide is CC(C)CNC(=S)N1CCCCC1C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide?
The InChIKey is DZQZQHKCQXMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(2)8-12-11(14)13-7-5-4-6-10(13)3/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide?
2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide has a molecular weight of 214.38 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide is sourced from PubChem (CID 17276176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).