2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol

C15H24N2O3S — CID 60908996

IUPAC2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCN1CCC(CNCC(O)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-17-8-7-12(11-17)9-16-10-15(18)13-3-5-14(6-4-13)21(2,19)20/h3-6,12,15-16,18H,7-11H2,1-2H3
InChIKeyIMDQFMBHNGLUGY-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.66
Rot. Bonds6

About 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol

2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 60908996) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol
PubChem CID60908996
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol
SMILESCN1CCC(CNCC(O)c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O3S/c1-17-8-7-12(11-17)9-16-10-15(18)13-3-5-14(6-4-13)21(2,19)20/h3-6,12,15-16,18H,7-11H2,1-2H3
InChIKeyIMDQFMBHNGLUGY-UHFFFAOYSA-N
XLogP0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylsulfonylphenyl)-2-(oxan-3-ylmethylamino)ethanol
CID 61019335
1-(1,3-benzodioxol-5-yl)-2-[(1-methylpyrrolidin-3-yl)methylamino]ethanol
CID 60908868
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]-3-methylbutan-1-ol
CID 66090470
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590
(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
CID 106931881
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
4-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60854923
1-(4-methylsulfonylphenyl)-2-(pyrrol-1-ylamino)ethanol
CID 79100079
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol (CID 60908996) is 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol is CN1CCC(CNCC(O)c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is IMDQFMBHNGLUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-17-8-7-12(11-17)9-16-10-15(18)13-3-5-14(6-4-13)21(2,19)20/h3-6,12,15-16,18H,7-11H2,1-2H3.
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol?
2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 312.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 60908996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).