2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one

C11H14O2S — CID 107781209

IUPAC2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one
SMILESCc1occc1SC1CCC(=O)C1C
InChIInChI=1S/C11H14O2S/c1-7-9(12)3-4-10(7)14-11-5-6-13-8(11)2/h5-7,10H,3-4H2,1-2H3
InChIKeyMNCYEDMTKVNFQR-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.05
Rot. Bonds2

About 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one

2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one (PubChem CID 107781209) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one
PubChem CID107781209
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one
SMILESCc1occc1SC1CCC(=O)C1C
InChIInChI=1S/C11H14O2S/c1-7-9(12)3-4-10(7)14-11-5-6-13-8(11)2/h5-7,10H,3-4H2,1-2H3
InChIKeyMNCYEDMTKVNFQR-UHFFFAOYSA-N
XLogP3.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-methylphenyl)sulfanylcyclopentan-1-one
CID 64904681
3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one
CID 107781219
2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784188
trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
CID 107780914
2-(2-methylfuran-3-yl)sulfanylcycloheptan-1-ol
CID 107780916
2-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-pyrimidin-6-one
CID 64905285
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107784280
N-ethyl-2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784132
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784168
3-(2-methylfuran-3-yl)sulfanylazepan-2-one
CID 86799316
4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 114001243
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
CID 107784224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one?
The IUPAC name of 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one (CID 107781209) is 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one.
What is the SMILES notation for 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one?
The canonical SMILES for 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one is Cc1occc1SC1CCC(=O)C1C.
What is the InChIKey of 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one?
The InChIKey is MNCYEDMTKVNFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-7-9(12)3-4-10(7)14-11-5-6-13-8(11)2/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one?
2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one has a molecular weight of 210.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one is sourced from PubChem (CID 107781209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).