3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine

C15H29N3O2S — CID 60977614

IUPAC3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
SMILESCC1CCCN(S(=O)(=O)N2CCCC2C2CCCNC2)C1
InChIInChI=1S/C15H29N3O2S/c1-13-5-3-9-17(12-13)21(19,20)18-10-4-7-15(18)14-6-2-8-16-11-14/h13-16H,2-12H2,1H3
InChIKeyZFOMQGKFKHHFRK-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.43
Rot. Bonds3

About 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine

3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine (PubChem CID 60977614) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
PubChem CID60977614
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
SMILESCC1CCCN(S(=O)(=O)N2CCCC2C2CCCNC2)C1
InChIInChI=1S/C15H29N3O2S/c1-13-5-3-9-17(12-13)21(19,20)18-10-4-7-15(18)14-6-2-8-16-11-14/h13-16H,2-12H2,1H3
InChIKeyZFOMQGKFKHHFRK-UHFFFAOYSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60978162
(2R)-2-methyl-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazine
CID 124598606
2-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119970141
1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883
(4aS,8aS)-4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 97023584
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylsulfonyl)-2,6-dimethylmorpholine
CID 102680815
4-(3-methylpiperidin-1-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 71892725
(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
CID 129431135
1-(2-piperidin-4-ylpyrrolidin-1-yl)sulfonylpiperidine
CID 60977886
(3R)-3-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperazine
CID 104975049
3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
CID 66272572
3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine
CID 63247204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine?
The IUPAC name of 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine (CID 60977614) is 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine.
What is the SMILES notation for 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine?
The canonical SMILES for 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine is CC1CCCN(S(=O)(=O)N2CCCC2C2CCCNC2)C1.
What is the InChIKey of 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine?
The InChIKey is ZFOMQGKFKHHFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-13-5-3-9-17(12-13)21(19,20)18-10-4-7-15(18)14-6-2-8-16-11-14/h13-16H,2-12H2,1H3.
What are the key properties of 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine?
3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine has a molecular weight of 315.48 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)sulfonylpiperidine is sourced from PubChem (CID 60977614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).