(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone

C10H11ClO2S — CID 62213512

IUPAC(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)C1CCCCO1
InChIInChI=1S/C10H11ClO2S/c11-9-5-4-8(14-9)10(12)7-3-1-2-6-13-7/h4-5,7H,1-3,6H2
InChIKeyNIIIXZVKBHLTCV-UHFFFAOYSA-N
MW230.72 g/mol
LogP3.15
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone

(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone (PubChem CID 62213512) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone
PubChem CID62213512
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)C1CCCCO1
InChIInChI=1S/C10H11ClO2S/c11-9-5-4-8(14-9)10(12)7-3-1-2-6-13-7/h4-5,7H,1-3,6H2
InChIKeyNIIIXZVKBHLTCV-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62213511
(5-bromo-4-chlorothiophen-2-yl)-(oxolan-2-yl)methanone
CID 80531560
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
(4-cyclohexylphenyl)-(oxan-2-yl)methanone
CID 62212791
azepan-2-yl-(5-chlorothiophen-2-yl)methanone
CID 116582505
2-(5-chlorothiophene-2-carbonyl)-1,3-oxazolidine-5-carboxylic acid
CID 141098610
(5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176311
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016
(3-methylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62214771
1-(5-chlorothiophen-2-yl)-2-cyclohexylsulfanylethanone
CID 60644172
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
1-(5-chlorothiophene-2-carbonyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 71887112

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone (CID 62213512) is (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone is O=C(c1ccc(Cl)s1)C1CCCCO1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone?
The InChIKey is NIIIXZVKBHLTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c11-9-5-4-8(14-9)10(12)7-3-1-2-6-13-7/h4-5,7H,1-3,6H2.
What are the key properties of (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone?
(5-chlorothiophen-2-yl)-(oxan-2-yl)methanone has a molecular weight of 230.72 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(oxan-2-yl)methanone is sourced from PubChem (CID 62213512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).