1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide

C18H27N3O5S — CID 96999906

IUPAC1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H27N3O5S/c1-25-14-5-6-17(26-2)15(12-14)16-4-3-9-21(16)27(23,24)20-10-7-13(8-11-20)18(19)22/h5-6,12-13,16H,3-4,7-11H2,1-2H3,(H2,19,22)/t16-/m0/s1
InChIKeyWCMNOZKOJUBTCM-INIZCTEOSA-N
MW397.50 g/mol
LogP1.28
Rot. Bonds6

About 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide

1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 96999906) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide
PubChem CID96999906
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H27N3O5S/c1-25-14-5-6-17(26-2)15(12-14)16-4-3-9-21(16)27(23,24)20-10-7-13(8-11-20)18(19)22/h5-6,12-13,16H,3-4,7-11H2,1-2H3,(H2,19,22)/t16-/m0/s1
InChIKeyWCMNOZKOJUBTCM-INIZCTEOSA-N
XLogP1.28
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide 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

1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylazepane
CID 46688857
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 51335623
1-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 47013445
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 55388919
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260
(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 9190253
2-(2,5-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 17404197
1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17488650
(2R)-1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190238
1-(4-chloro-2-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17491177
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 46421436

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide (CID 96999906) is 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide is COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is WCMNOZKOJUBTCM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-25-14-5-6-17(26-2)15(12-14)16-4-3-9-21(16)27(23,24)20-10-7-13(8-11-20)18(19)22/h5-6,12-13,16H,3-4,7-11H2,1-2H3,(H2,19,22)/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide?
1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 96999906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).