3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine

C12H24N2O4S — CID 103535343

IUPAC3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine
SMILESCOC1CN(S(=O)(=O)CC2CCCNC2)CC1OC
InChIInChI=1S/C12H24N2O4S/c1-17-11-7-14(8-12(11)18-2)19(15,16)9-10-4-3-5-13-6-10/h10-13H,3-9H2,1-2H3
InChIKeyDMWPHOYHQNDPIA-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.34
Rot. Bonds5

About 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine

3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine (PubChem CID 103535343) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine.

Molecular Properties

Compound Name3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine
PubChem CID103535343
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine
SMILESCOC1CN(S(=O)(=O)CC2CCCNC2)CC1OC
InChIInChI=1S/C12H24N2O4S/c1-17-11-7-14(8-12(11)18-2)19(15,16)9-10-4-3-5-13-6-10/h10-13H,3-9H2,1-2H3
InChIKeyDMWPHOYHQNDPIA-UHFFFAOYSA-N
XLogP-0.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62085436
4-(piperidin-3-ylmethylsulfonyl)-1,4-thiazepane
CID 54972395
1-methyl-6-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199542
[4-(piperidin-3-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81205073
8-(piperidin-3-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63769472
3-[(3-phenylpyrrolidin-1-yl)sulfonylmethyl]piperidine
CID 62133046
1-(piperidin-3-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320272
(3R,4R)-1-(2-cyclopropylethylsulfonyl)-3,4-dimethoxypyrrolidine
CID 129345337
2,4-dimethyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62331848
3-(3,4-dimethoxypyrrolidin-1-yl)piperidine
CID 103533918
3-ethyl-4-(piperidin-3-ylmethylsulfonyl)piperazin-2-one
CID 55216931
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine?
The IUPAC name of 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine (CID 103535343) is 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine.
What is the SMILES notation for 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine?
The canonical SMILES for 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine is COC1CN(S(=O)(=O)CC2CCCNC2)CC1OC.
What is the InChIKey of 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine?
The InChIKey is DMWPHOYHQNDPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-17-11-7-14(8-12(11)18-2)19(15,16)9-10-4-3-5-13-6-10/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine?
3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine has a molecular weight of 292.40 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxypyrrolidin-1-yl)sulfonylmethyl]piperidine is sourced from PubChem (CID 103535343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).