N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide

C8H18ClNO4S — CID 63400799

IUPACN-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CC(Cl)COC
InChIInChI=1S/C8H18ClNO4S/c1-10(6-8(9)7-14-3)15(11,12)5-4-13-2/h8H,4-7H2,1-3H3
InChIKeyHYSDDWDBETVOKR-UHFFFAOYSA-N
MW259.75 g/mol
LogP0.15
Rot. Bonds8

About N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide

N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide (PubChem CID 63400799) has the molecular formula C8H18ClNO4S and a molecular weight of 259.75 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide
PubChem CID63400799
Molecular FormulaC8H18ClNO4S
Molecular Weight259.75 g/mol
Exact Mass259.06
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CC(Cl)COC
InChIInChI=1S/C8H18ClNO4S/c1-10(6-8(9)7-14-3)15(11,12)5-4-13-2/h8H,4-7H2,1-3H3
InChIKeyHYSDDWDBETVOKR-UHFFFAOYSA-N
XLogP0.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-2-methoxy-N-methylethanesulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide (CID 63400799) is N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide is COCCS(=O)(=O)N(C)CC(Cl)COC.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide?
The InChIKey is HYSDDWDBETVOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO4S/c1-10(6-8(9)7-14-3)15(11,12)5-4-13-2/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide?
N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide has a molecular weight of 259.75 g/mol, XLogP of 0.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 63400799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).