[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride

C14H18ClNO3S — CID 168673658

IUPAC[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CCCc1ccccc1
InChIInChI=1S/C14H18ClNO3S/c15-20(18,19)11-13-9-14(17)16(10-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyZAVUIIZAVXMFCE-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.04
Rot. Bonds6

About [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673658) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673658
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CCCc1ccccc1
InChIInChI=1S/C14H18ClNO3S/c15-20(18,19)11-13-9-14(17)16(10-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyZAVUIIZAVXMFCE-UHFFFAOYSA-N
XLogP2.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-oxo-1-(3-phenylsulfanylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673657
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
[1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673680
[1-[4-(N-methylanilino)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672929
[5-oxo-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673732
[1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673717
[5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673651
[5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673730
[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673811
[1-[2-(benzylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676446
N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 42193458
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyrrolidine-1-sulfonamide
CID 45234279

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride (CID 168673658) is [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1CCCc1ccccc1.
What is the InChIKey of [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is ZAVUIIZAVXMFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c15-20(18,19)11-13-9-14(17)16(10-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2.
What are the key properties of [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).