N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide

C10H20ClNO4S — CID 63400493

IUPACN-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20ClNO4S/c1-12(7-9(11)8-15-2)17(13,14)10-3-5-16-6-4-10/h9-10H,3-8H2,1-2H3
InChIKeyHBZQBFGKVRSLHQ-UHFFFAOYSA-N
MW285.79 g/mol
LogP0.68
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide

N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide (PubChem CID 63400493) has the molecular formula C10H20ClNO4S and a molecular weight of 285.79 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide
PubChem CID63400493
Molecular FormulaC10H20ClNO4S
Molecular Weight285.79 g/mol
Exact Mass285.08
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H20ClNO4S/c1-12(7-9(11)8-15-2)17(13,14)10-3-5-16-6-4-10/h9-10H,3-8H2,1-2H3
InChIKeyHBZQBFGKVRSLHQ-UHFFFAOYSA-N
XLogP0.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 50.68
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)-N-methyloxane-4-sulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide (CID 63400493) is N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide is COCC(Cl)CN(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide?
The InChIKey is HBZQBFGKVRSLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO4S/c1-12(7-9(11)8-15-2)17(13,14)10-3-5-16-6-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide?
N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide has a molecular weight of 285.79 g/mol, XLogP of 0.68, 6 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)-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 63400493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).