3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol

C14H22N2O4S — CID 118740327

IUPAC3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)(CN(C)C)C2)cc1
InChIInChI=1S/C14H22N2O4S/c1-15(2)10-14(17)8-9-16(11-14)21(18,19)13-6-4-12(20-3)5-7-13/h4-7,17H,8-11H2,1-3H3
InChIKeyNZWMDJFSAKMARY-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.38
Rot. Bonds5

About 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol

3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 118740327) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol
PubChem CID118740327
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CCC(O)(CN(C)C)C2)cc1
InChIInChI=1S/C14H22N2O4S/c1-15(2)10-14(17)8-9-16(11-14)21(18,19)13-6-4-12(20-3)5-7-13/h4-7,17H,8-11H2,1-3H3
InChIKeyNZWMDJFSAKMARY-UHFFFAOYSA-N
XLogP0.38
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol 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

CID 1121648
CID 1121648
CID 893819
CID 893819
CID 2165059
CID 2165059
CID 7384391
CID 7384391
CID 11628580
CID 11628580
CID 60145489
CID 60145489
CID 60145492
CID 60145492
CID 18971393
CID 18971393
CID 137637901
CID 137637901
CID 665445
CID 665445
CID 72934969
CID 72934969
CID 97415200
CID 97415200

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol (CID 118740327) is 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol is COc1ccc(S(=O)(=O)N2CCC(O)(CN(C)C)C2)cc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is NZWMDJFSAKMARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-15(2)10-14(17)8-9-16(11-14)21(18,19)13-6-4-12(20-3)5-7-13/h4-7,17H,8-11H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol?
3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 314.41 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 118740327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).