2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine

C11H23NO4S — CID 64696633

IUPAC2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine
SMILESCCOC(CN)CCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H23NO4S/c1-2-16-10(9-12)5-8-17(13,14)11-3-6-15-7-4-11/h10-11H,2-9,12H2,1H3
InChIKeyOMNGFZHKJVWOLE-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.33
Rot. Bonds7

About 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine

2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine (PubChem CID 64696633) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine
PubChem CID64696633
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine
SMILESCCOC(CN)CCS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H23NO4S/c1-2-16-10(9-12)5-8-17(13,14)11-3-6-15-7-4-11/h10-11H,2-9,12H2,1H3
InChIKeyOMNGFZHKJVWOLE-UHFFFAOYSA-N
XLogP0.33
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(oxan-4-ylsulfonyl)butan-2-amine
CID 64675493
2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine
CID 107766945
4-butylsulfonyl-2-ethoxybutan-1-amine
CID 64696379
2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine
CID 102605740
4-cyclopentylsulfonylbutan-2-amine
CID 64674097
2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 63070059
N'-cyclopropyl-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069693
4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine
CID 64696960
3-amino-4-(oxan-4-ylsulfonyl)butan-1-ol
CID 64899314
N-[2-ethoxy-3-(oxan-4-yloxy)propyl]methanesulfonamide
CID 123434709
N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide
CID 62048608
2,2-dimethyl-4-(oxan-4-ylsulfonyl)butanenitrile
CID 65262935

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine (CID 64696633) is 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine is CCOC(CN)CCS(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine?
The InChIKey is OMNGFZHKJVWOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-2-16-10(9-12)5-8-17(13,14)11-3-6-15-7-4-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine?
2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine is sourced from PubChem (CID 64696633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).