1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine

C12H24N2O3S — CID 79611515

IUPAC1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
SMILESCS(=O)(=O)N1CCCC(COCC2CCNC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)14-6-2-3-12(8-14)10-17-9-11-4-5-13-7-11/h11-13H,2-10H2,1H3
InChIKeyBKKMMOYZWYGGSS-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.28
Rot. Bonds5

About 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine

1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine (PubChem CID 79611515) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
PubChem CID79611515
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
SMILESCS(=O)(=O)N1CCCC(COCC2CCNC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)14-6-2-3-12(8-14)10-17-9-11-4-5-13-7-11/h11-13H,2-10H2,1H3
InChIKeyBKKMMOYZWYGGSS-UHFFFAOYSA-N
XLogP0.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
CID 79613125
[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine
CID 79609995
N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
CID 79609993
3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
CID 79613127
(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 82713447
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine
CID 79610967
7-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepane
CID 79622838
4-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]aniline
CID 79604451
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine?
The IUPAC name of 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine (CID 79611515) is 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine.
What is the SMILES notation for 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine?
The canonical SMILES for 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine is CS(=O)(=O)N1CCCC(COCC2CCNC2)C1.
What is the InChIKey of 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine?
The InChIKey is BKKMMOYZWYGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(15,16)14-6-2-3-12(8-14)10-17-9-11-4-5-13-7-11/h11-13H,2-10H2,1H3.
What are the key properties of 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine?
1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine has a molecular weight of 276.40 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine is sourced from PubChem (CID 79611515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).