[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone

C14H16ClNO3S — CID 97217116

IUPAC[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
SMILESO=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3S/c15-12-3-1-10(2-4-12)13-5-7-16(13)14(17)11-6-8-20(18,19)9-11/h1-4,11,13H,5-9H2/t11-,13+/m0/s1
InChIKeyQEAHVPRKJUWRPQ-WCQYABFASA-N
MW313.81 g/mol
LogP2.05
Rot. Bonds2

About [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone

[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone (PubChem CID 97217116) has the molecular formula C14H16ClNO3S and a molecular weight of 313.81 g/mol. Its IUPAC name is [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
PubChem CID97217116
Molecular FormulaC14H16ClNO3S
Molecular Weight313.81 g/mol
Exact Mass313.05
IUPAC Name[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
SMILESO=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO3S/c15-12-3-1-10(2-4-12)13-5-7-16(13)14(17)11-6-8-20(18,19)9-11/h1-4,11,13H,5-9H2/t11-,13+/m0/s1
InChIKeyQEAHVPRKJUWRPQ-WCQYABFASA-N
XLogP2.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone with MolForge

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Related Compounds

[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 97217115
[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone
CID 71929460
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 120802900
(4-chlorophenyl) 1,1-dioxothiolane-3-carboxylate
CID 16566374
2-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 64904345
1-[(4-chlorophenyl)methyl]-4-[(3S)-1,1-dioxothiolane-3-carbonyl]piperazin-2-one
CID 100618880
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 119032218
[2-(4-chlorophenyl)azepan-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 126769241
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-[(2S)-2-phenylazetidin-1-yl]ethanone
CID 94468019

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone?
The IUPAC name of [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone (CID 97217116) is [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone?
The canonical SMILES for [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone is O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone?
The InChIKey is QEAHVPRKJUWRPQ-WCQYABFASA-N. The full InChI is InChI=1S/C14H16ClNO3S/c15-12-3-1-10(2-4-12)13-5-7-16(13)14(17)11-6-8-20(18,19)9-11/h1-4,11,13H,5-9H2/t11-,13+/m0/s1.
What are the key properties of [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone?
[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone has a molecular weight of 313.81 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone is sourced from PubChem (CID 97217116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).