N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide

C11H23ClN2O3S — CID 63400837

IUPACN-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C11H23ClN2O3S/c1-10-4-6-14(7-5-10)18(15,16)13(2)8-11(12)9-17-3/h10-11H,4-9H2,1-3H3
InChIKeyBOIHNKXLSDGBKM-UHFFFAOYSA-N
MW298.84 g/mol
LogP1.15
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide

N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide (PubChem CID 63400837) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide
PubChem CID63400837
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC NameN-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C11H23ClN2O3S/c1-10-4-6-14(7-5-10)18(15,16)13(2)8-11(12)9-17-3/h10-11H,4-9H2,1-3H3
InChIKeyBOIHNKXLSDGBKM-UHFFFAOYSA-N
XLogP1.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide (CID 63400837) is N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide is COCC(Cl)CN(C)S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide?
The InChIKey is BOIHNKXLSDGBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O3S/c1-10-4-6-14(7-5-10)18(15,16)13(2)8-11(12)9-17-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide?
N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide has a molecular weight of 298.84 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N,4-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 63400837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).