3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride

C10H20ClNO3S — CID 112594679

IUPAC3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride
SMILESCCC1COC(C)CN1CCCS(=O)(=O)Cl
InChIInChI=1S/C10H20ClNO3S/c1-3-10-8-15-9(2)7-12(10)5-4-6-16(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyGKVIGEIFOWMPJH-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.44
Rot. Bonds5

About 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride

3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride (PubChem CID 112594679) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride
PubChem CID112594679
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride
SMILESCCC1COC(C)CN1CCCS(=O)(=O)Cl
InChIInChI=1S/C10H20ClNO3S/c1-3-10-8-15-9(2)7-12(10)5-4-6-16(11,13)14/h9-10H,3-8H2,1-2H3
InChIKeyGKVIGEIFOWMPJH-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 60692406
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CID 62229159
5-ethyl-4-(2-fluoroethyl)-2-methylmorpholine
CID 130685633
5-(5-ethyl-2-methylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82683901
4-(3-azidopropyl)-5-ethyl-2-methylmorpholine
CID 61424062
N-tert-butyl-5-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-amine
CID 62462120
5-ethyl-2-methyl-4-(oxiran-2-ylmethyl)morpholine
CID 61424186
4-[2-(azetidin-3-yl)ethyl]-5-ethyl-2-methylmorpholine
CID 116679610
2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid
CID 106806024
2-[3-(5-ethyl-2-methylmorpholin-4-yl)propyl]aniline
CID 107274350
4-(chloromethylsulfonyl)-5-ethyl-2-methylmorpholine
CID 63666343
5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063744

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride (CID 112594679) is 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride is CCC1COC(C)CN1CCCS(=O)(=O)Cl.
What is the InChIKey of 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride?
The InChIKey is GKVIGEIFOWMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-3-10-8-15-9(2)7-12(10)5-4-6-16(11,13)14/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride?
3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride has a molecular weight of 269.79 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride is sourced from PubChem (CID 112594679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).