1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile

C10H18N2O2S — CID 63239603

IUPAC1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile
SMILESCS(=O)(=O)CCCN1CCC(C#N)CC1
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)8-2-5-12-6-3-10(9-11)4-7-12/h10H,2-8H2,1H3
InChIKeyGXUIIAGOQUQXCF-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.66
Rot. Bonds4

About 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile

1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile (PubChem CID 63239603) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile
PubChem CID63239603
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile
SMILESCS(=O)(=O)CCCN1CCC(C#N)CC1
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)8-2-5-12-6-3-10(9-11)4-7-12/h10H,2-8H2,1H3
InChIKeyGXUIIAGOQUQXCF-UHFFFAOYSA-N
XLogP0.66
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Isobutylsulfonyl)piperidine-4-carbonitrile
CID 62733881
3-(3-Fluoro-4-methylpiperidin-1-yl)-1,1-dioxothietane-3-carbonitrile
CID 178125333
4-Methylsulfanyl-1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbonitrile
CID 83058632
5-(1-Piperidyl)pentyl isopentyl sulfone
CID 18965255
3-(1-Piperidyl)propyl isopentyl sulfone
CID 18965292
1,1,3-Trimethyl-5-(methylsulfonylmethyl)piperidin-1-ium
CID 20632595
4-Methyl-1-(2-methylsulfonylethyl)piperidine
CID 20752926
1-(Ethylsulfonyl)piperidine-4-carbonitrile
CID 39240504
1-(Propane-1-sulfonyl)piperidine-4-carbonitrile
CID 39243654
4-Ethyl-1-(2-methylsulfonylethyl)piperidine
CID 53930711
4-(Ethylsulfonylmethyl)-1-propan-2-ylpiperidine
CID 57709506
4-(Methylsulfonylmethyl)-1-propan-2-ylpiperidine
CID 58076203

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile (CID 63239603) is 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile is CS(=O)(=O)CCCN1CCC(C#N)CC1.
What is the InChIKey of 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile?
The InChIKey is GXUIIAGOQUQXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-15(13,14)8-2-5-12-6-3-10(9-11)4-7-12/h10H,2-8H2,1H3.
What are the key properties of 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile?
1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile has a molecular weight of 230.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 63239603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).