(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine

C18H21NO3S — CID 74224270

IUPAC(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
SMILESCOC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-22-14-17-8-5-13-19(17)23(20,21)18-11-9-16(10-12-18)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3/t17-/m0/s1
InChIKeyPFHBXCJMHNWMTO-KRWDZBQOSA-N
MW331.44 g/mol
LogP3.15
Rot. Bonds5

About (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine

(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine (PubChem CID 74224270) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
PubChem CID74224270
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine
SMILESCOC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-22-14-17-8-5-13-19(17)23(20,21)18-11-9-16(10-12-18)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3/t17-/m0/s1
InChIKeyPFHBXCJMHNWMTO-KRWDZBQOSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 3695622
N-methyl-1-[1-(4-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991254
1-[2-[4-[4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]phenyl]ethyl]-2-methylpyrrolidine
CID 56664483
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25212282
6-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 46966853
3,3-dichloro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indol-2-one
CID 70342438
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186
[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl propanoate
CID 140981307
2-ethylsulfonyl-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 98774559

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine (CID 74224270) is (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine is COC[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine?
The InChIKey is PFHBXCJMHNWMTO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-22-14-17-8-5-13-19(17)23(20,21)18-11-9-16(10-12-18)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine?
(2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine has a molecular weight of 331.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-(4-phenylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 74224270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).