(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide

C15H21FN2O3S — CID 124851079

IUPAC(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
SMILESCS(=O)(=O)[C@H]1CCN(C(=O)NCCCc2cccc(F)c2)C1
InChIInChI=1S/C15H21FN2O3S/c1-22(20,21)14-7-9-18(11-14)15(19)17-8-3-5-12-4-2-6-13(16)10-12/h2,4,6,10,14H,3,5,7-9,11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyRTRMQVIJCMHQSV-AWEZNQCLSA-N
MW328.41 g/mol
LogP1.59
Rot. Bonds5

About (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide

(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide (PubChem CID 124851079) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
PubChem CID124851079
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
SMILESCS(=O)(=O)[C@H]1CCN(C(=O)NCCCc2cccc(F)c2)C1
InChIInChI=1S/C15H21FN2O3S/c1-22(20,21)14-7-9-18(11-14)15(19)17-8-3-5-12-4-2-6-13(16)10-12/h2,4,6,10,14H,3,5,7-9,11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyRTRMQVIJCMHQSV-AWEZNQCLSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4aR,8aS)-N-[3-(3-fluorophenyl)propyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carboxamide
CID 124726323
N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882655
(2S)-1-N-[3-(3-fluorophenyl)propyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97241968
N-[3-[(3-fluorobenzoyl)amino]propyl]-3-methylpyrrolidine-1-carboxamide
CID 86937809
4-[[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021549
(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969846
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[3-(3-fluorophenyl)propyl]urea
CID 75495361
(3S)-N-(4-methylpent-3-enyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 124849877
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
ethyl 4-[[N-[3-(3-fluorophenyl)propyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111838310
N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788751
3,4-bis[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961367

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide (CID 124851079) is (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide is CS(=O)(=O)[C@H]1CCN(C(=O)NCCCc2cccc(F)c2)C1.
What is the InChIKey of (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide?
The InChIKey is RTRMQVIJCMHQSV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-22(20,21)14-7-9-18(11-14)15(19)17-8-3-5-12-4-2-6-13(16)10-12/h2,4,6,10,14H,3,5,7-9,11H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide?
(3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(3-fluorophenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 124851079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).