4-chloro-1-cyclopropylsulfonylpiperidine

C8H14ClNO2S — CID 64552242

IUPAC4-chloro-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCC(Cl)CC1
InChIInChI=1S/C8H14ClNO2S/c9-7-3-5-10(6-4-7)13(11,12)8-1-2-8/h7-8H,1-6H2
InChIKeySTJCWMOSZWWDGR-UHFFFAOYSA-N
MW223.72 g/mol
LogP1.18
Rot. Bonds2

About 4-chloro-1-cyclopropylsulfonylpiperidine

4-chloro-1-cyclopropylsulfonylpiperidine (PubChem CID 64552242) has the molecular formula C8H14ClNO2S and a molecular weight of 223.72 g/mol. Its IUPAC name is 4-chloro-1-cyclopropylsulfonylpiperidine.

Molecular Properties

Compound Name4-chloro-1-cyclopropylsulfonylpiperidine
PubChem CID64552242
Molecular FormulaC8H14ClNO2S
Molecular Weight223.72 g/mol
Exact Mass223.04
IUPAC Name4-chloro-1-cyclopropylsulfonylpiperidine
SMILESO=S(=O)(C1CC1)N1CCC(Cl)CC1
InChIInChI=1S/C8H14ClNO2S/c9-7-3-5-10(6-4-7)13(11,12)8-1-2-8/h7-8H,1-6H2
InChIKeySTJCWMOSZWWDGR-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.72
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropylsulfonylpiperidine?
The IUPAC name of 4-chloro-1-cyclopropylsulfonylpiperidine (CID 64552242) is 4-chloro-1-cyclopropylsulfonylpiperidine.
What is the SMILES notation for 4-chloro-1-cyclopropylsulfonylpiperidine?
The canonical SMILES for 4-chloro-1-cyclopropylsulfonylpiperidine is O=S(=O)(C1CC1)N1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-cyclopropylsulfonylpiperidine?
The InChIKey is STJCWMOSZWWDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2S/c9-7-3-5-10(6-4-7)13(11,12)8-1-2-8/h7-8H,1-6H2.
What are the key properties of 4-chloro-1-cyclopropylsulfonylpiperidine?
4-chloro-1-cyclopropylsulfonylpiperidine has a molecular weight of 223.72 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropylsulfonylpiperidine is sourced from PubChem (CID 64552242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).