cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane

C7H14OS — CID 167605516

IUPACcyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane
SMILESC=S(=O)(C(C)C)C1CC1
InChIInChI=1S/C7H14OS/c1-6(2)9(3,8)7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyKICAUPGBCZKBKS-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.27
Rot. Bonds2

About cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane

cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane (PubChem CID 167605516) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane.

Molecular Properties

Compound Namecyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane
PubChem CID167605516
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Namecyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane
SMILESC=S(=O)(C(C)C)C1CC1
InChIInChI=1S/C7H14OS/c1-6(2)9(3,8)7-4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyKICAUPGBCZKBKS-UHFFFAOYSA-N
XLogP1.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methylpropylsulfonylcyclopropane
CID 58333627
imino-(oxan-4-yl)-oxo-propan-2-yl-λ6-sulfane
CID 165438879
methylidene-oxo-propan-2-yl-(trifluoromethyl)-λ6-sulfane
CID 167588573
1-cyclopropylsulfonylpropan-2-amine
CID 84651728
CID 174013761
CID 174013761
(1R)-1-(4-methylsulfonylcyclohexyl)ethanol
CID 166828331
N-(difluoromethyl)-N-propan-2-ylcyclopropanesulfonamide
CID 164821569
cyclopropyl-methylidene-[3-(2-methylpropyl)pyrrolidin-1-yl]-oxo-λ6-sulfane
CID 162067603
ethylsulfonylcyclopropane
CID 12063392
(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
CID 97301302
methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane
CID 146940638
methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
CID 147389699

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane?
The IUPAC name of cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane (CID 167605516) is cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane.
What is the SMILES notation for cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane?
The canonical SMILES for cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane is C=S(=O)(C(C)C)C1CC1.
What is the InChIKey of cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane?
The InChIKey is KICAUPGBCZKBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)9(3,8)7-4-5-7/h6-7H,3-5H2,1-2H3.
What are the key properties of cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane?
cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane has a molecular weight of 146.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-methylidene-oxo-propan-2-yl-λ6-sulfane is sourced from PubChem (CID 167605516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).