3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C14H21NO3S — CID 83926435

IUPAC3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCS(=O)(=O)c1cccc(C(CCO)N2CCCC2)c1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)13-6-4-5-12(11-13)14(7-10-16)15-8-2-3-9-15/h4-6,11,14,16H,2-3,7-10H2,1H3
InChIKeyRLWVJIPQCQJVIJ-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.61
Rot. Bonds5

About 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol

3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83926435) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83926435
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCS(=O)(=O)c1cccc(C(CCO)N2CCCC2)c1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)13-6-4-5-12(11-13)14(7-10-16)15-8-2-3-9-15/h4-6,11,14,16H,2-3,7-10H2,1H3
InChIKeyRLWVJIPQCQJVIJ-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83926312
4-(3-hydroxy-1-pyrrolidin-1-ylpropyl)-2-methylphenol
CID 83922970
(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189206
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321
4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 47030334
N-[(2R)-4-hydroxy-2-phenylbutyl]-3-methylsulfonylbenzenesulfonamide
CID 96542928

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 83926435) is 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is CS(=O)(=O)c1cccc(C(CCO)N2CCCC2)c1.
What is the InChIKey of 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is RLWVJIPQCQJVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-19(17,18)13-6-4-5-12(11-13)14(7-10-16)15-8-2-3-9-15/h4-6,11,14,16H,2-3,7-10H2,1H3.
What are the key properties of 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83926435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).