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

C14H22N2O4S — CID 118741485

IUPAC3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCOc1cccc(S(=O)(=O)N2CCC(O)(CN(C)C)C2)c1
InChIInChI=1S/C14H22N2O4S/c1-15(2)10-14(17)7-8-16(11-14)21(18,19)13-6-4-5-12(9-13)20-3/h4-6,9,17H,7-8,10-11H2,1-3H3
InChIKeyNTSVOLFVRSPDEO-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.38
Rot. Bonds5

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

3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 118741485) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
PubChem CID118741485
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
SMILESCOc1cccc(S(=O)(=O)N2CCC(O)(CN(C)C)C2)c1
InChIInChI=1S/C14H22N2O4S/c1-15(2)10-14(17)7-8-16(11-14)21(18,19)13-6-4-5-12(9-13)20-3/h4-6,9,17H,7-8,10-11H2,1-3H3
InChIKeyNTSVOLFVRSPDEO-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

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Related Compounds

1-[2-[(2R)-1-[(3-Methoxyphenyl)sulfonyl]-2-pyrrolidinyl]ethyl]-4-methylpiperidine
CID 10499156
1-[2-[(2S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 44368705
(3S*,4R*)-4-isopropyl-1-[(3-methoxyphenyl)sulfonyl]-N,N-dimethyl-3-pyrrolidinamine
CID 72875035
{(3R*,4R*)-4-{[ethyl(methyl)amino]methyl}-1-[(4-methoxyphenyl)sulfonyl]-3-pyrrolidinyl}methanol
CID 72934969
(5aS,8aS)-7-(4-methoxyphenyl)sulfonyl-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420156
(3R,4R)-4-(dimethylamino)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 110108036
3-[(Dimethylamino)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 118740327
1-(2,5-Dimethoxyphenyl)sulfonylpyrrolidine
CID 738688
1-[(4-Methoxyphenyl)sulfonyl]pyrrolidine
CID 247207
3-({4-[(4-Methoxyphenyl)sulfonyl]piperazin-1-yl}methyl)pyrrolidin-3-ol
CID 70773010
(3R*,4R*)-3-cyclobutyl-1-[(3-methoxyphenyl)sulfonyl]-4-methyl-3-pyrrolidinol
CID 72896698
4-Methoxy-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915432

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol (CID 118741485) is 3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol is COc1cccc(S(=O)(=O)N2CCC(O)(CN(C)C)C2)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is NTSVOLFVRSPDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-15(2)10-14(17)7-8-16(11-14)21(18,19)13-6-4-5-12(9-13)20-3/h4-6,9,17H,7-8,10-11H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol?
3-[(dimethylamino)methyl]-1-(3-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-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 118741485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).