4-butylsulfonyl-2-ethoxybutan-1-amine

C10H23NO3S — CID 64696379

IUPAC4-butylsulfonyl-2-ethoxybutan-1-amine
SMILESCCCCS(=O)(=O)CCC(CN)OCC
InChIInChI=1S/C10H23NO3S/c1-3-5-7-15(12,13)8-6-10(9-11)14-4-2/h10H,3-9,11H2,1-2H3
InChIKeyPDGPPNXONSEURK-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.96
Rot. Bonds9

About 4-butylsulfonyl-2-ethoxybutan-1-amine

4-butylsulfonyl-2-ethoxybutan-1-amine (PubChem CID 64696379) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 4-butylsulfonyl-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-butylsulfonyl-2-ethoxybutan-1-amine
PubChem CID64696379
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name4-butylsulfonyl-2-ethoxybutan-1-amine
SMILESCCCCS(=O)(=O)CCC(CN)OCC
InChIInChI=1S/C10H23NO3S/c1-3-5-7-15(12,13)8-6-10(9-11)14-4-2/h10H,3-9,11H2,1-2H3
InChIKeyPDGPPNXONSEURK-UHFFFAOYSA-N
XLogP0.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine
CID 107766945
3-butylsulfonylpropan-1-amine
CID 43615632
4-decylsulfonylbutan-2-amine
CID 81195492
2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine
CID 64696633
2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine
CID 64696559
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
5-butylsulfonylpentan-1-amine
CID 64698649
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
sodium 3-ethoxydodecane-1-sulfonate
CID 175686206
1-aminohexan-2-yl propane-1-sulfonate
CID 162430809
N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
CID 63070467
5-ethoxynonane
CID 91187482

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonyl-2-ethoxybutan-1-amine?
The IUPAC name of 4-butylsulfonyl-2-ethoxybutan-1-amine (CID 64696379) is 4-butylsulfonyl-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-butylsulfonyl-2-ethoxybutan-1-amine?
The canonical SMILES for 4-butylsulfonyl-2-ethoxybutan-1-amine is CCCCS(=O)(=O)CCC(CN)OCC.
What is the InChIKey of 4-butylsulfonyl-2-ethoxybutan-1-amine?
The InChIKey is PDGPPNXONSEURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-5-7-15(12,13)8-6-10(9-11)14-4-2/h10H,3-9,11H2,1-2H3.
What are the key properties of 4-butylsulfonyl-2-ethoxybutan-1-amine?
4-butylsulfonyl-2-ethoxybutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 0.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonyl-2-ethoxybutan-1-amine is sourced from PubChem (CID 64696379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).