3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine

C15H20FNO3S — CID 121197715

IUPAC3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C15H20FNO3S/c1-11-8-13(16)4-5-15(11)21(18,19)17-7-6-14(9-17)20-10-12-2-3-12/h4-5,8,12,14H,2-3,6-7,9-10H2,1H3
InChIKeyPCLOFTMHUSPKGF-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.32
Rot. Bonds5

About 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine

3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine (PubChem CID 121197715) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
PubChem CID121197715
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C15H20FNO3S/c1-11-8-13(16)4-5-15(11)21(18,19)17-7-6-14(9-17)20-10-12-2-3-12/h4-5,8,12,14H,2-3,6-7,9-10H2,1H3
InChIKeyPCLOFTMHUSPKGF-UHFFFAOYSA-N
XLogP2.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
CID 129357025
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
methyl 1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305546
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
CID 110605443
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 114507294
2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126854612
1-(4-tert-butylphenyl)sulfonyl-3-(cyclopropylmethoxy)pyrrolidine
CID 121197737
4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265559
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine (CID 121197715) is 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine is Cc1cc(F)ccc1S(=O)(=O)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine?
The InChIKey is PCLOFTMHUSPKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-11-8-13(16)4-5-15(11)21(18,19)17-7-6-14(9-17)20-10-12-2-3-12/h4-5,8,12,14H,2-3,6-7,9-10H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine?
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine has a molecular weight of 313.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 121197715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).