N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide

C11H23ClN2O2S — CID 55187837

IUPACN-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H23ClN2O2S/c1-10(2)13(9-7-12)17(15,16)14-8-5-4-6-11(14)3/h10-11H,4-9H2,1-3H3
InChIKeyGNSXJJQKKZXXRJ-UHFFFAOYSA-N
MW282.84 g/mol
LogP2.05
Rot. Bonds5

About N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide

N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 55187837) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID55187837
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC NameN-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(CCCl)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H23ClN2O2S/c1-10(2)13(9-7-12)17(15,16)14-8-5-4-6-11(14)3/h10-11H,4-9H2,1-3H3
InChIKeyGNSXJJQKKZXXRJ-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 52.05
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)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide (CID 55187837) is N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)N(CCCl)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is GNSXJJQKKZXXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O2S/c1-10(2)13(9-7-12)17(15,16)14-8-5-4-6-11(14)3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 282.84 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 55187837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).