N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide

C9H19ClN2O2S — CID 63396737

IUPACN-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N(C)CCCl
InChIInChI=1S/C9H19ClN2O2S/c1-9-5-3-4-7-12(9)15(13,14)11(2)8-6-10/h9H,3-8H2,1-2H3
InChIKeyGEOLDHLZAKDXQF-UHFFFAOYSA-N
MW254.78 g/mol
LogP1.28
Rot. Bonds4

About N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide

N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide (PubChem CID 63396737) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide
PubChem CID63396737
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC NameN-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N(C)CCCl
InChIInChI=1S/C9H19ClN2O2S/c1-9-5-3-4-7-12(9)15(13,14)11(2)8-6-10/h9H,3-8H2,1-2H3
InChIKeyGEOLDHLZAKDXQF-UHFFFAOYSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 51.28
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 N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide (CID 63396737) is N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)N(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide?
The InChIKey is GEOLDHLZAKDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O2S/c1-9-5-3-4-7-12(9)15(13,14)11(2)8-6-10/h9H,3-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide?
N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide has a molecular weight of 254.78 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N,2-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 63396737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).