3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine

C11H22N2O2S — CID 60723835

IUPAC3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C11H22N2O2S/c1-10-7-11(2)9-13(8-10)16(14,15)12-5-3-4-6-12/h10-11H,3-9H2,1-2H3
InChIKeySIOWNYYZJJBCLZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.30
Rot. Bonds2

About 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine

3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine (PubChem CID 60723835) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
PubChem CID60723835
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C11H22N2O2S/c1-10-7-11(2)9-13(8-10)16(14,15)12-5-3-4-6-12/h10-11H,3-9H2,1-2H3
InChIKeySIOWNYYZJJBCLZ-UHFFFAOYSA-N
XLogP1.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
CID 55621429
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane
CID 98757499
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperazine
CID 63872906
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472325
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472328
[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 43589679
1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 128925402
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol
CID 62358298

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine?
The IUPAC name of 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine (CID 60723835) is 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine.
What is the SMILES notation for 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine?
The canonical SMILES for 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine is CC1CC(C)CN(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine?
The InChIKey is SIOWNYYZJJBCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10-7-11(2)9-13(8-10)16(14,15)12-5-3-4-6-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine?
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine has a molecular weight of 246.38 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine is sourced from PubChem (CID 60723835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).