(5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone

C12H16ClNO3S2 — CID 72718957

IUPAC(5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C12H16ClNO3S2/c1-8(2)7-19(16,17)9-5-14(6-9)12(15)10-3-4-11(13)18-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyLINLVKFZCVCMGF-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.30
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone (PubChem CID 72718957) has the molecular formula C12H16ClNO3S2 and a molecular weight of 321.85 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
PubChem CID72718957
Molecular FormulaC12H16ClNO3S2
Molecular Weight321.85 g/mol
Exact Mass321.03
IUPAC Name(5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C12H16ClNO3S2/c1-8(2)7-19(16,17)9-5-14(6-9)12(15)10-3-4-11(13)18-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyLINLVKFZCVCMGF-UHFFFAOYSA-N
XLogP2.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone (CID 72718957) is (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone is CC(C)CS(=O)(=O)C1CN(C(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
The InChIKey is LINLVKFZCVCMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S2/c1-8(2)7-19(16,17)9-5-14(6-9)12(15)10-3-4-11(13)18-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone has a molecular weight of 321.85 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone is sourced from PubChem (CID 72718957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).