2-(cyclopentylmethyl)-1-methylsulfonylpiperidine

C12H23NO2S — CID 123983585

IUPAC2-(cyclopentylmethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCCC1CC1CCCC1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)13-9-5-4-8-12(13)10-11-6-2-3-7-11/h11-12H,2-10H2,1H3
InChIKeySTCKQGHSKYBBRK-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.38
Rot. Bonds3

About 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine

2-(cyclopentylmethyl)-1-methylsulfonylpiperidine (PubChem CID 123983585) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1-methylsulfonylpiperidine
PubChem CID123983585
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-(cyclopentylmethyl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCCCC1CC1CCCC1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)13-9-5-4-8-12(13)10-11-6-2-3-7-11/h11-12H,2-10H2,1H3
InChIKeySTCKQGHSKYBBRK-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine?
The IUPAC name of 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine (CID 123983585) is 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine?
The canonical SMILES for 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCCCC1CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine?
The InChIKey is STCKQGHSKYBBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-16(14,15)13-9-5-4-8-12(13)10-11-6-2-3-7-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine?
2-(cyclopentylmethyl)-1-methylsulfonylpiperidine has a molecular weight of 245.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 123983585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).