3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine

C10H23NO4S — CID 106513266

IUPAC3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
SMILESCCOCCCNCCS(=O)(=O)CCOC
InChIInChI=1S/C10H23NO4S/c1-3-15-7-4-5-11-6-9-16(12,13)10-8-14-2/h11H,3-10H2,1-2H3
InChIKeyRZYHQQQVMCJKDX-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.06
Rot. Bonds11

About 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine

3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine (PubChem CID 106513266) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
PubChem CID106513266
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
SMILESCCOCCCNCCS(=O)(=O)CCOC
InChIInChI=1S/C10H23NO4S/c1-3-15-7-4-5-11-6-9-16(12,13)10-8-14-2/h11H,3-10H2,1-2H3
InChIKeyRZYHQQQVMCJKDX-UHFFFAOYSA-N
XLogP0.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
4-ethoxy-N-[2-(2-methylpropylsulfonyl)ethyl]butan-1-amine
CID 106512953
bis[3-(3-ethoxypropylamino)propyl] sulfate
CID 155409951
N-[2-(2-methoxyethylsulfonyl)ethyl]-3,3-dimethylbutan-1-amine
CID 106513199
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140
6-(3-ethoxypropylamino)hexane-1-sulfonic acid
CID 151406312
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine
CID 106513528
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]propan-1-amine
CID 106513636
2-(2-methoxyethylsulfonyl)-N-methylethanamine
CID 64646513
2-ethoxy-N-[2-(3-methylbutylsulfonyl)ethyl]ethanamine
CID 107757860

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine (CID 106513266) is 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine is CCOCCCNCCS(=O)(=O)CCOC.
What is the InChIKey of 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine?
The InChIKey is RZYHQQQVMCJKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-3-15-7-4-5-11-6-9-16(12,13)10-8-14-2/h11H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine?
3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 0.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine is sourced from PubChem (CID 106513266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).