cyclopropylmethylsulfinyl(piperidin-1-yl)methanone

C10H17NO2S — CID 163386132

IUPACcyclopropylmethylsulfinyl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)S(=O)CC1CC1
InChIInChI=1S/C10H17NO2S/c12-10(11-6-2-1-3-7-11)14(13)8-9-4-5-9/h9H,1-8H2
InChIKeyPOEITQJXKZGYJZ-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.75
Rot. Bonds2

About cyclopropylmethylsulfinyl(piperidin-1-yl)methanone

cyclopropylmethylsulfinyl(piperidin-1-yl)methanone (PubChem CID 163386132) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is cyclopropylmethylsulfinyl(piperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropylmethylsulfinyl(piperidin-1-yl)methanone
PubChem CID163386132
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Namecyclopropylmethylsulfinyl(piperidin-1-yl)methanone
SMILESO=C(N1CCCCC1)S(=O)CC1CC1
InChIInChI=1S/C10H17NO2S/c12-10(11-6-2-1-3-7-11)14(13)8-9-4-5-9/h9H,1-8H2
InChIKeyPOEITQJXKZGYJZ-UHFFFAOYSA-N
XLogP1.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azetidin-1-yl(cyclopropylmethylsulfinyl)methanone;bis[1-(cyclopropylmethylsulfinylcarbonyl)piperidin-4-yl] carbonate
CID 163386138
bis[1-(cyclopropylmethylsulfinylcarbonyl)piperidin-4-yl] carbonate
CID 163386140
[cyclobutylmethyl(methylidene)-λ4-sulfanyl]-piperidin-1-ylmethanone
CID 163386133
piperidin-1-yl(propylsulfinyl)methanone
CID 163841053
2-cyclopropylethyl piperidine-1-carboxylate
CID 142778075
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
(cyclopropylmethylamino) piperidine-1-carboxylate
CID 142606376
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274
[1-[4-(sulfinatomethyl)piperidine-1-carbonyl]piperidin-4-yl]methanesulfinate
CID 174890341
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
azetidin-1-yl(methylsulfinyl)methanone
CID 163386122

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylsulfinyl(piperidin-1-yl)methanone?
The IUPAC name of cyclopropylmethylsulfinyl(piperidin-1-yl)methanone (CID 163386132) is cyclopropylmethylsulfinyl(piperidin-1-yl)methanone.
What is the SMILES notation for cyclopropylmethylsulfinyl(piperidin-1-yl)methanone?
The canonical SMILES for cyclopropylmethylsulfinyl(piperidin-1-yl)methanone is O=C(N1CCCCC1)S(=O)CC1CC1.
What is the InChIKey of cyclopropylmethylsulfinyl(piperidin-1-yl)methanone?
The InChIKey is POEITQJXKZGYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c12-10(11-6-2-1-3-7-11)14(13)8-9-4-5-9/h9H,1-8H2.
What are the key properties of cyclopropylmethylsulfinyl(piperidin-1-yl)methanone?
cyclopropylmethylsulfinyl(piperidin-1-yl)methanone has a molecular weight of 215.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylsulfinyl(piperidin-1-yl)methanone is sourced from PubChem (CID 163386132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).