1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine

C10H20N2O2S — CID 63256904

IUPAC1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
SMILESCS(=O)(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-3-2-6-10(12)9-5-4-7-11-9/h9-11H,2-8H2,1H3
InChIKeyYZRWDCAETAXIFD-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.55
Rot. Bonds2

About 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine

1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine (PubChem CID 63256904) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
PubChem CID63256904
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine
SMILESCS(=O)(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-3-2-6-10(12)9-5-4-7-11-9/h9-11H,2-8H2,1H3
InChIKeyYZRWDCAETAXIFD-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 63256640
2-pyrrolidin-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 63256684
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-pyrrolidin-2-ylpiperidine
CID 63256596
2-(2-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetic acid
CID 63256331
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
CID 63256330
1-(2,5-dimethylthiophen-3-yl)sulfonyl-2-pyrrolidin-2-ylpiperidine
CID 63256423
N,N-dipropyl-2-pyrrolidin-2-ylpyrrolidine-1-sulfonamide
CID 62273382
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine
CID 63246941
methyl 2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylacetate
CID 62274926
2-methyl-2,8-diazabicyclo[5.5.0]dodecane
CID 130417846
1-(3,5-difluorophenyl)sulfonyl-2-pyrrolidin-2-ylpyrrolidine
CID 62275261
1-propan-2-yl-2-pyrrolidin-2-ylpiperidine
CID 63256346

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine (CID 63256904) is 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine is CS(=O)(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine?
The InChIKey is YZRWDCAETAXIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15(13,14)12-8-3-2-6-10(12)9-5-4-7-11-9/h9-11H,2-8H2,1H3.
What are the key properties of 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine?
1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine has a molecular weight of 232.35 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63256904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).