1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile

C10H18N2O2S — CID 62733881

IUPAC1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile
SMILESCC(C)CS(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C10H18N2O2S/c1-9(2)8-15(13,14)12-5-3-10(7-11)4-6-12/h9-10H,3-6,8H2,1-2H3
InChIKeyDQBHCYXHNLOMLI-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.21
Rot. Bonds3

About 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile

1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile (PubChem CID 62733881) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile
PubChem CID62733881
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile
SMILESCC(C)CS(=O)(=O)N1CCC(C#N)CC1
InChIInChI=1S/C10H18N2O2S/c1-9(2)8-15(13,14)12-5-3-10(7-11)4-6-12/h9-10H,3-6,8H2,1-2H3
InChIKeyDQBHCYXHNLOMLI-UHFFFAOYSA-N
XLogP1.21
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile (CID 62733881) is 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile is CC(C)CS(=O)(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile?
The InChIKey is DQBHCYXHNLOMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-9(2)8-15(13,14)12-5-3-10(7-11)4-6-12/h9-10H,3-6,8H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile?
1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile has a molecular weight of 230.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 62733881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).