1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile

C12H21N3O2S — CID 62075705

IUPAC1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile
SMILESCC1CCCCN1S(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H21N3O2S/c1-11-4-2-3-7-15(11)18(16,17)14-8-5-12(10-13)6-9-14/h11-12H,2-9H2,1H3
InChIKeyIKEFJDFYFLBJRK-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.34
Rot. Bonds2

About 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile

1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile (PubChem CID 62075705) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile
PubChem CID62075705
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile
SMILESCC1CCCCN1S(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H21N3O2S/c1-11-4-2-3-7-15(11)18(16,17)14-8-5-12(10-13)6-9-14/h11-12H,2-9H2,1H3
InChIKeyIKEFJDFYFLBJRK-UHFFFAOYSA-N
XLogP1.34
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile (CID 62075705) is 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile is CC1CCCCN1S(=O)(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile?
The InChIKey is IKEFJDFYFLBJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-11-4-2-3-7-15(11)18(16,17)14-8-5-12(10-13)6-9-14/h11-12H,2-9H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile?
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile has a molecular weight of 271.39 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)sulfonylpiperidine-4-carbonitrile is sourced from PubChem (CID 62075705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).