4-(4-methylsulfonylpiperidin-1-yl)butanenitrile

C10H18N2O2S — CID 142708497

IUPAC4-(4-methylsulfonylpiperidin-1-yl)butanenitrile
SMILESCS(=O)(=O)C1CCN(CCCC#N)CC1
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)10-4-8-12(9-5-10)7-3-2-6-11/h10H,2-5,7-9H2,1H3
InChIKeyBTHNZPRVXAGKJY-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.80
Rot. Bonds4

About 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile

4-(4-methylsulfonylpiperidin-1-yl)butanenitrile (PubChem CID 142708497) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name4-(4-methylsulfonylpiperidin-1-yl)butanenitrile
PubChem CID142708497
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-(4-methylsulfonylpiperidin-1-yl)butanenitrile
SMILESCS(=O)(=O)C1CCN(CCCC#N)CC1
InChIInChI=1S/C10H18N2O2S/c1-15(13,14)10-4-8-12(9-5-10)7-3-2-6-11/h10H,2-5,7-9H2,1H3
InChIKeyBTHNZPRVXAGKJY-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 176666593
3-(3-methylsulfonylpiperidin-1-yl)propanenitrile
CID 130617291
4-[(3S)-3-aminopyrrolidin-1-yl]butanenitrile
CID 94340658
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278
4-(2,6-dimethylmorpholin-4-yl)butanenitrile
CID 24695044
5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
CID 62996721
5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 54966168
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8691903
5-(azocan-1-yl)pentanenitrile
CID 60688798
4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanenitrile
CID 63103870
3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
CID 63597136

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile?
The IUPAC name of 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile (CID 142708497) is 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile is CS(=O)(=O)C1CCN(CCCC#N)CC1.
What is the InChIKey of 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile?
The InChIKey is BTHNZPRVXAGKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-15(13,14)10-4-8-12(9-5-10)7-3-2-6-11/h10H,2-5,7-9H2,1H3.
What are the key properties of 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile?
4-(4-methylsulfonylpiperidin-1-yl)butanenitrile has a molecular weight of 230.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 142708497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).