N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide

C9H19ClN2O4S — CID 106245433

IUPACN-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H19ClN2O4S/c1-15-8-9(10)2-3-11-17(13,14)12-4-6-16-7-5-12/h9,11H,2-8H2,1H3
InChIKeyVCPSTUYJFFBLAT-UHFFFAOYSA-N
MW286.78 g/mol
LogP-0.20
Rot. Bonds7

About N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide

N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide (PubChem CID 106245433) has the molecular formula C9H19ClN2O4S and a molecular weight of 286.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide
PubChem CID106245433
Molecular FormulaC9H19ClN2O4S
Molecular Weight286.78 g/mol
Exact Mass286.08
IUPAC NameN-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide
SMILESCOCC(Cl)CCNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H19ClN2O4S/c1-15-8-9(10)2-3-11-17(13,14)12-4-6-16-7-5-12/h9,11H,2-8H2,1H3
InChIKeyVCPSTUYJFFBLAT-UHFFFAOYSA-N
XLogP-0.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]morpholine-4-sulfonamide;hydrochloride
CID 120717809
N-[2-(2-chloroethoxy)ethyl]morpholine-4-sulfonamide
CID 65033687
N-(3-bromo-4-methoxybutyl)pyrrolidine-1-sulfonamide
CID 106245632
N-[2-(dimethylamino)ethyl]morpholine-4-sulfonamide
CID 110705984
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
N-(3-iodopropyl)morpholine-4-sulfonamide
CID 114504667
N-[3-(ethylamino)propyl]morpholine-4-sulfonamide
CID 43606633
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
N-(2,2-diethoxyethyl)morpholine-4-sulfonamide
CID 79548082
2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
CID 114816234
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide
CID 107158136

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide (CID 106245433) is N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide is COCC(Cl)CCNS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide?
The InChIKey is VCPSTUYJFFBLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O4S/c1-15-8-9(10)2-3-11-17(13,14)12-4-6-16-7-5-12/h9,11H,2-8H2,1H3.
What are the key properties of N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide?
N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide has a molecular weight of 286.78 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)morpholine-4-sulfonamide is sourced from PubChem (CID 106245433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).