3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride

C8H18ClNO3S — CID 112594673

IUPAC3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride
SMILESCCN(CCCS(=O)(=O)Cl)CCOC
InChIInChI=1S/C8H18ClNO3S/c1-3-10(6-7-13-2)5-4-8-14(9,11)12/h3-8H2,1-2H3
InChIKeyMZBZNTXPDWJJRW-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.91
Rot. Bonds8

About 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride

3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride (PubChem CID 112594673) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride
PubChem CID112594673
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride
SMILESCCN(CCCS(=O)(=O)Cl)CCOC
InChIInChI=1S/C8H18ClNO3S/c1-3-10(6-7-13-2)5-4-8-14(9,11)12/h3-8H2,1-2H3
InChIKeyMZBZNTXPDWJJRW-UHFFFAOYSA-N
XLogP0.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 61446826
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
3-(dipentylamino)propane-1-sulfonyl chloride
CID 112594628
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
2-methoxyethanesulfonyl chloride
CID 13480221
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800
4-[ethyl(2-methoxyethyl)amino]butan-1-ol;yttrium
CID 156869165
N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62554317

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride?
The IUPAC name of 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride (CID 112594673) is 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride.
What is the SMILES notation for 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride?
The canonical SMILES for 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride is CCN(CCCS(=O)(=O)Cl)CCOC.
What is the InChIKey of 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride?
The InChIKey is MZBZNTXPDWJJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-3-10(6-7-13-2)5-4-8-14(9,11)12/h3-8H2,1-2H3.
What are the key properties of 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride?
3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride has a molecular weight of 243.76 g/mol, XLogP of 0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride is sourced from PubChem (CID 112594673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).