[1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone

C19H19ClN2OS — CID 11588515

IUPAC[1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccccn2)C1)C1(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2OS/c20-15-4-6-16(7-5-15)24-19(9-10-19)18(23)22-12-8-14(13-22)17-3-1-2-11-21-17/h1-7,11,14H,8-10,12-13H2
InChIKeyQNFLODIDAIIVBY-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.38
Rot. Bonds4

About [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone

[1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 11588515) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID11588515
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name[1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(c2ccccn2)C1)C1(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2OS/c20-15-4-6-16(7-5-15)24-19(9-10-19)18(23)22-12-8-14(13-22)17-3-1-2-11-21-17/h1-7,11,14H,8-10,12-13H2
InChIKeyQNFLODIDAIIVBY-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 11588515) is [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone is O=C(N1CCC(c2ccccn2)C1)C1(Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is QNFLODIDAIIVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c20-15-4-6-16(7-5-15)24-19(9-10-19)18(23)22-12-8-14(13-22)17-3-1-2-11-21-17/h1-7,11,14H,8-10,12-13H2.
What are the key properties of [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?
[1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 358.89 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfanylcyclopropyl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 11588515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).