cyclopropylsulfonyl(piperidin-4-yl)methanone

C9H15NO3S — CID 87724022

IUPACcyclopropylsulfonyl(piperidin-4-yl)methanone
SMILESO=C(C1CCNCC1)S(=O)(=O)C1CC1
InChIInChI=1S/C9H15NO3S/c11-9(7-3-5-10-6-4-7)14(12,13)8-1-2-8/h7-8,10H,1-6H2
InChIKeyGLRJTBIHNOHTCD-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.09
Rot. Bonds2

About cyclopropylsulfonyl(piperidin-4-yl)methanone

cyclopropylsulfonyl(piperidin-4-yl)methanone (PubChem CID 87724022) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is cyclopropylsulfonyl(piperidin-4-yl)methanone.

Molecular Properties

Compound Namecyclopropylsulfonyl(piperidin-4-yl)methanone
PubChem CID87724022
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Namecyclopropylsulfonyl(piperidin-4-yl)methanone
SMILESO=C(C1CCNCC1)S(=O)(=O)C1CC1
InChIInChI=1S/C9H15NO3S/c11-9(7-3-5-10-6-4-7)14(12,13)8-1-2-8/h7-8,10H,1-6H2
InChIKeyGLRJTBIHNOHTCD-UHFFFAOYSA-N
XLogP0.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropylsulfonyl(piperidin-4-yl)methanone?
The IUPAC name of cyclopropylsulfonyl(piperidin-4-yl)methanone (CID 87724022) is cyclopropylsulfonyl(piperidin-4-yl)methanone.
What is the SMILES notation for cyclopropylsulfonyl(piperidin-4-yl)methanone?
The canonical SMILES for cyclopropylsulfonyl(piperidin-4-yl)methanone is O=C(C1CCNCC1)S(=O)(=O)C1CC1.
What is the InChIKey of cyclopropylsulfonyl(piperidin-4-yl)methanone?
The InChIKey is GLRJTBIHNOHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-9(7-3-5-10-6-4-7)14(12,13)8-1-2-8/h7-8,10H,1-6H2.
What are the key properties of cyclopropylsulfonyl(piperidin-4-yl)methanone?
cyclopropylsulfonyl(piperidin-4-yl)methanone has a molecular weight of 217.29 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylsulfonyl(piperidin-4-yl)methanone is sourced from PubChem (CID 87724022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).