[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol

C14H22N2O3S — CID 81469076

IUPAC[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2cccc(CO)c2)CC1N(C)C
InChIInChI=1S/C14H22N2O3S/c1-11-8-16(9-14(11)15(2)3)20(18,19)13-6-4-5-12(7-13)10-17/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyFNRVUMXJBDYGJN-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.75
Rot. Bonds4

About [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol

[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol (PubChem CID 81469076) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol.

Molecular Properties

Compound Name[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol
PubChem CID81469076
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol
SMILESCC1CN(S(=O)(=O)c2cccc(CO)c2)CC1N(C)C
InChIInChI=1S/C14H22N2O3S/c1-11-8-16(9-14(11)15(2)3)20(18,19)13-6-4-5-12(7-13)10-17/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyFNRVUMXJBDYGJN-UHFFFAOYSA-N
XLogP0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]methanol
CID 103541145
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
CID 131891133
1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81463975
1-[3-(aminomethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106668585
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)phenyl]methanol
CID 79937525
3-(3,4-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 79189026
(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
CID 95739230
3-[(3R,4R)-3-(dimethylamino)-4-methylsulfanylpyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzamide
CID 124859619
1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81460569
(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]sulfonylmorpholine
CID 157367793
5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 81464542
(3R,5R)-3,5-dimethyl-1-[3-(propan-2-yloxymethyl)phenyl]sulfonylpiperidine
CID 95756868

Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol?
The IUPAC name of [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol (CID 81469076) is [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol.
What is the SMILES notation for [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol?
The canonical SMILES for [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol is CC1CN(S(=O)(=O)c2cccc(CO)c2)CC1N(C)C.
What is the InChIKey of [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol?
The InChIKey is FNRVUMXJBDYGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-8-16(9-14(11)15(2)3)20(18,19)13-6-4-5-12(7-13)10-17/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol?
[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol has a molecular weight of 298.41 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol is sourced from PubChem (CID 81469076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).