4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine

C14H31NO5S — CID 104568967

IUPAC4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine
SMILESCCCCOCCOCCOCCS(=O)(=O)CCC(C)N
InChIInChI=1S/C14H31NO5S/c1-3-4-6-18-7-8-19-9-10-20-11-13-21(16,17)12-5-14(2)15/h14H,3-13,15H2,1-2H3
InChIKeyJQZTWHOHDXKBKL-UHFFFAOYSA-N
MW325.47 g/mol
LogP0.99
Rot. Bonds15

About 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine

4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine (PubChem CID 104568967) has the molecular formula C14H31NO5S and a molecular weight of 325.47 g/mol. Its IUPAC name is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine.

Molecular Properties

Compound Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine
PubChem CID104568967
Molecular FormulaC14H31NO5S
Molecular Weight325.47 g/mol
Exact Mass325.19
IUPAC Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine
SMILESCCCCOCCOCCOCCS(=O)(=O)CCC(C)N
InChIInChI=1S/C14H31NO5S/c1-3-4-6-18-7-8-19-9-10-20-11-13-21(16,17)12-5-14(2)15/h14H,3-13,15H2,1-2H3
InChIKeyJQZTWHOHDXKBKL-UHFFFAOYSA-N
XLogP0.99
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine
CID 81194023
4-decylsulfonylbutan-2-amine
CID 81195492
1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
CID 58676689
4-(2-ethylsulfonylethylsulfonyl)butan-2-amine
CID 81195480
2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride
CID 165461040
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
4-[2-(4-bromophenoxy)ethylsulfonyl]butan-2-amine
CID 81193839
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
1-amino-3-butoxypropan-1-ol
CID 57047625
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
CID 104568410

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine?
The IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine (CID 104568967) is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine.
What is the SMILES notation for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine?
The canonical SMILES for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine is CCCCOCCOCCOCCS(=O)(=O)CCC(C)N.
What is the InChIKey of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine?
The InChIKey is JQZTWHOHDXKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO5S/c1-3-4-6-18-7-8-19-9-10-20-11-13-21(16,17)12-5-14(2)15/h14H,3-13,15H2,1-2H3.
What are the key properties of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine?
4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine has a molecular weight of 325.47 g/mol, XLogP of 0.99, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine is sourced from PubChem (CID 104568967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).