5-methyl-2-sulfanylidenepiperidine-3-carbonitrile

C7H10N2S — CID 130136264

IUPAC5-methyl-2-sulfanylidenepiperidine-3-carbonitrile
SMILESCC1CNC(=S)C(C#N)C1
InChIInChI=1S/C7H10N2S/c1-5-2-6(3-8)7(10)9-4-5/h5-6H,2,4H2,1H3,(H,9,10)
InChIKeyRCZRZKPJJCSKNQ-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.08
Rot. Bonds

About 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile

5-methyl-2-sulfanylidenepiperidine-3-carbonitrile (PubChem CID 130136264) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-sulfanylidenepiperidine-3-carbonitrile
PubChem CID130136264
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name5-methyl-2-sulfanylidenepiperidine-3-carbonitrile
SMILESCC1CNC(=S)C(C#N)C1
InChIInChI=1S/C7H10N2S/c1-5-2-6(3-8)7(10)9-4-5/h5-6H,2,4H2,1H3,(H,9,10)
InChIKeyRCZRZKPJJCSKNQ-UHFFFAOYSA-N
XLogP1.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.08
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

bis(aziridin-2-one);bis(4,6-dimethylazepan-2-one)
CID 158411276
(4R,6R)-4,6-dimethylazepan-2-one
CID 12689794
5-methyl-1,3-oxazinane-2-thione
CID 143100001
6-methyl-4-oxopiperidine-3-carbonitrile
CID 11126327
(2S,6S)-2-methyl-6-(trifluoromethyl)morpholine-3-thione
CID 95970437
2-[(4S)-4-methylpyrrolidin-2-yl]acetonitrile
CID 170704101
3-methyl-2-oxocycloheptane-1-carbonitrile
CID 11094808
2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile
CID 137427603
3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 21040228
5-methyl-2-oxopiperidine-3-carbaldehyde
CID 130136468
5-nitro-2-oxopiperidine-3-carbonitrile
CID 170906395
azane;3,5-dimethylpiperidine
CID 23174858

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile?
The IUPAC name of 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile (CID 130136264) is 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile.
What is the SMILES notation for 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile?
The canonical SMILES for 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile is CC1CNC(=S)C(C#N)C1.
What is the InChIKey of 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile?
The InChIKey is RCZRZKPJJCSKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-5-2-6(3-8)7(10)9-4-5/h5-6H,2,4H2,1H3,(H,9,10).
What are the key properties of 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile?
5-methyl-2-sulfanylidenepiperidine-3-carbonitrile has a molecular weight of 154.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-sulfanylidenepiperidine-3-carbonitrile is sourced from PubChem (CID 130136264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).