1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol

C13H19NO5S — CID 103871378

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C)(O)C2)c1
InChIInChI=1S/C13H19NO5S/c1-13(15)6-7-14(9-13)20(16,17)12-8-10(18-2)4-5-11(12)19-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeySBIHUXFIDRBUAX-UHFFFAOYSA-N
MW301.36 g/mol
LogP0.85
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol

1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol (PubChem CID 103871378) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
PubChem CID103871378
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C)(O)C2)c1
InChIInChI=1S/C13H19NO5S/c1-13(15)6-7-14(9-13)20(16,17)12-8-10(18-2)4-5-11(12)19-3/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeySBIHUXFIDRBUAX-UHFFFAOYSA-N
XLogP0.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-4-methoxybenzoic acid
CID 103355689
[1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777963
1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096099
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871388
2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 90537501
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(5-bromo-2-methoxyphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63145982
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol (CID 103871378) is 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol is COc1ccc(OC)c(S(=O)(=O)N2CCC(C)(O)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol?
The InChIKey is SBIHUXFIDRBUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-13(15)6-7-14(9-13)20(16,17)12-8-10(18-2)4-5-11(12)19-3/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol?
1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol has a molecular weight of 301.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103871378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).