2-cyclobutyl-1-(thiolan-2-yl)ethanone

C10H16OS — CID 80621574

IUPAC2-cyclobutyl-1-(thiolan-2-yl)ethanone
SMILESO=C(CC1CCC1)C1CCCS1
InChIInChI=1S/C10H16OS/c11-9(7-8-3-1-4-8)10-5-2-6-12-10/h8,10H,1-7H2
InChIKeySGMWVPJJEIRCQA-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.64
Rot. Bonds3

About 2-cyclobutyl-1-(thiolan-2-yl)ethanone

2-cyclobutyl-1-(thiolan-2-yl)ethanone (PubChem CID 80621574) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-cyclobutyl-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(thiolan-2-yl)ethanone
PubChem CID80621574
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-cyclobutyl-1-(thiolan-2-yl)ethanone
SMILESO=C(CC1CCC1)C1CCCS1
InChIInChI=1S/C10H16OS/c11-9(7-8-3-1-4-8)10-5-2-6-12-10/h8,10H,1-7H2
InChIKeySGMWVPJJEIRCQA-UHFFFAOYSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-4-yl)-1-(thiolan-2-yl)ethanone
CID 80622758
2-cyclopentyl-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
CID 103344818
3-methyl-1-(thiolan-2-yl)but-3-en-1-one
CID 80621713
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034
1-(thiolan-2-yl)dodecan-1-one
CID 65427493
4,4-dimethyl-1-(thiolan-2-yl)pentan-1-one
CID 80621706
1-(thiolan-2-yl)heptan-1-one
CID 80621940
3-ethyl-1-(thiolan-2-yl)pentan-1-one
CID 82920307
2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethanone
CID 80596174
2-(4-hydroxyphenyl)-1-(thiolan-2-yl)ethanone
CID 80622526
N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide
CID 66006893
1-(thiolan-2-yl)oct-7-en-1-one
CID 57023203

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(thiolan-2-yl)ethanone (CID 80621574) is 2-cyclobutyl-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(thiolan-2-yl)ethanone is O=C(CC1CCC1)C1CCCS1.
What is the InChIKey of 2-cyclobutyl-1-(thiolan-2-yl)ethanone?
The InChIKey is SGMWVPJJEIRCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c11-9(7-8-3-1-4-8)10-5-2-6-12-10/h8,10H,1-7H2.
What are the key properties of 2-cyclobutyl-1-(thiolan-2-yl)ethanone?
2-cyclobutyl-1-(thiolan-2-yl)ethanone has a molecular weight of 184.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(thiolan-2-yl)ethanone is sourced from PubChem (CID 80621574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).