(3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol

C13H19FN2O3S — CID 124976702

IUPAC(3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESCN(C)C[C@@]1(O)CCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H19FN2O3S/c1-15(2)9-13(17)6-7-16(10-13)20(18,19)12-5-3-4-11(14)8-12/h3-5,8,17H,6-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyLHKHHZPQIROQDA-ZDUSSCGKSA-N
MW302.37 g/mol
LogP0.51
Rot. Bonds4

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

(3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 124976702) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is (3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID124976702
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name(3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol
SMILESCN(C)C[C@@]1(O)CCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H19FN2O3S/c1-15(2)9-13(17)6-7-16(10-13)20(18,19)12-5-3-4-11(14)8-12/h3-5,8,17H,6-7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyLHKHHZPQIROQDA-ZDUSSCGKSA-N
XLogP0.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 118741464
(3R)-1-(3,4-difluorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 124956354
(3R)-1-(4-chlorophenyl)sulfonyl-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 125020513
3-[(4R)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]sulfonyl-N-methylbenzamide
CID 95717717
3-(3,3-dimethylpyrrolidin-1-yl)sulfonylbenzenesulfonyl fluoride
CID 114791699
1-ethylsulfonyl-3-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 127248085
8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16896776
(3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104009
5-[[9-[(dimethylamino)methyl]-9-hydroxy-3-azaspiro[5.5]undecan-3-yl]sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 91920164
1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-amine
CID 123166621
(3R)-3-[(dimethylamino)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 124982113
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol (CID 124976702) is (3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol is CN(C)C[C@@]1(O)CCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of (3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is LHKHHZPQIROQDA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-15(2)9-13(17)6-7-16(10-13)20(18,19)12-5-3-4-11(14)8-12/h3-5,8,17H,6-7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol?
(3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 302.37 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(dimethylamino)methyl]-1-(3-fluorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 124976702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).