chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine

C10H20ClNO2S — CID 174555360

IUPACchloromethane;4-(prop-2-enylsulfonylmethyl)piperidine
SMILESC=CCS(=O)(=O)CC1CCNCC1.CCl
InChIInChI=1S/C9H17NO2S.CH3Cl/c1-2-7-13(11,12)8-9-3-5-10-6-4-9;1-2/h2,9-10H,1,3-8H2;1H3
InChIKeyDBQBSWOCXLWBJR-UHFFFAOYSA-N
MW253.79 g/mol
LogP1.44
Rot. Bonds4

About chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine

chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine (PubChem CID 174555360) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine.

Molecular Properties

Compound Namechloromethane;4-(prop-2-enylsulfonylmethyl)piperidine
PubChem CID174555360
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC Namechloromethane;4-(prop-2-enylsulfonylmethyl)piperidine
SMILESC=CCS(=O)(=O)CC1CCNCC1.CCl
InChIInChI=1S/C9H17NO2S.CH3Cl/c1-2-7-13(11,12)8-9-3-5-10-6-4-9;1-2/h2,9-10H,1,3-8H2;1H3
InChIKeyDBQBSWOCXLWBJR-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine?
The IUPAC name of chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine (CID 174555360) is chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine.
What is the SMILES notation for chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine?
The canonical SMILES for chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine is C=CCS(=O)(=O)CC1CCNCC1.CCl.
What is the InChIKey of chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine?
The InChIKey is DBQBSWOCXLWBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S.CH3Cl/c1-2-7-13(11,12)8-9-3-5-10-6-4-9;1-2/h2,9-10H,1,3-8H2;1H3.
What are the key properties of chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine?
chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine has a molecular weight of 253.79 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;4-(prop-2-enylsulfonylmethyl)piperidine is sourced from PubChem (CID 174555360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).