(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C12H15ClOS — CID 130698397

IUPAC(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2ccsc2Cl)C1(C)C
InChIInChI=1S/C12H15ClOS/c1-11(2)9(12(11,3)4)8(14)7-5-6-15-10(7)13/h5-6,9H,1-4H3
InChIKeyLYJOGDSJPMBHCC-UHFFFAOYSA-N
MW242.77 g/mol
LogP4.27
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 130698397) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID130698397
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2ccsc2Cl)C1(C)C
InChIInChI=1S/C12H15ClOS/c1-11(2)9(12(11,3)4)8(14)7-5-6-15-10(7)13/h5-6,9H,1-4H3
InChIKeyLYJOGDSJPMBHCC-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 80530092
(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone
CID 130631626
(2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone
CID 130987576
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
CID 114971637
(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 130646168
(2-chlorothiophen-3-yl)-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 138035972
(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476290
(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 130640569
(2-chlorothiophen-3-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 130624005
3-(2-chlorothiophen-3-yl)-2-oxopropanoic acid
CID 130646763

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 130698397) is (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2ccsc2Cl)C1(C)C.
What is the InChIKey of (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is LYJOGDSJPMBHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c1-11(2)9(12(11,3)4)8(14)7-5-6-15-10(7)13/h5-6,9H,1-4H3.
What are the key properties of (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 242.77 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 130698397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).