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

C12H15ClOS — CID 107176625

IUPAC(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)c1sccc1Cl
InChIInChI=1S/C12H15ClOS/c1-12(2)6-3-4-8(12)10(14)11-9(13)5-7-15-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLNVAERCMJDNPJB-UHFFFAOYSA-N
MW242.77 g/mol
LogP4.41
Rot. Bonds2

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

(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107176625) has the molecular formula C12H15ClOS and a molecular weight of 242.77 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
PubChem CID107176625
Molecular FormulaC12H15ClOS
Molecular Weight242.77 g/mol
Exact Mass242.05
IUPAC Name(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)c1sccc1Cl
InChIInChI=1S/C12H15ClOS/c1-12(2)6-3-4-8(12)10(14)11-9(13)5-7-15-11/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLNVAERCMJDNPJB-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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
(3-chlorothiophen-2-yl)-cyclopentylmethanone
CID 80530065
(5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176311
1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176367
(3-chlorothiophen-2-yl)-(1-hydroxycycloheptyl)methanone
CID 107359487
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176497
(3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone
CID 115825950
(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610
2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid
CID 22939230
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
CID 107179308
(5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176660
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 80641116

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone (CID 107176625) is (3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is LNVAERCMJDNPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClOS/c1-12(2)6-3-4-8(12)10(14)11-9(13)5-7-15-11/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone?
(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 242.77 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107176625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).