2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine

C11H25NO3S — CID 107766945

IUPAC2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine
SMILESCCOC(CN)CCS(=O)(=O)C(C)C(C)C
InChIInChI=1S/C11H25NO3S/c1-5-15-11(8-12)6-7-16(13,14)10(4)9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyMMEWPSYISBQWEN-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.20
Rot. Bonds8

About 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine

2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine (PubChem CID 107766945) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine
PubChem CID107766945
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine
SMILESCCOC(CN)CCS(=O)(=O)C(C)C(C)C
InChIInChI=1S/C11H25NO3S/c1-5-15-11(8-12)6-7-16(13,14)10(4)9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyMMEWPSYISBQWEN-UHFFFAOYSA-N
XLogP1.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butylsulfonyl-2-ethoxybutan-1-amine
CID 64696379
2-ethoxy-4-(oxan-4-ylsulfonyl)butan-1-amine
CID 64696633
2-ethoxy-3-(2-methylpropylsulfonyl)propan-1-amine
CID 64696559
2-ethoxy-4-(3-methylbutan-2-ylsulfanyl)butan-1-amine
CID 107752236
4-(2,5-dichlorophenyl)sulfonyl-2-ethoxybutan-1-amine
CID 64696960
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
ethane;2-ethoxybutan-1-amine
CID 176948064
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 79849694
2-ethoxy-3-propan-2-yloxypropan-1-amine
CID 63069873
4-(3-methylbutan-2-ylsulfonyl)-N-propylbutan-2-amine
CID 107759127
2-ethoxy-3-propan-2-ylsulfinylpropan-1-amine
CID 81328055

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine (CID 107766945) is 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine is CCOC(CN)CCS(=O)(=O)C(C)C(C)C.
What is the InChIKey of 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine?
The InChIKey is MMEWPSYISBQWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-15-11(8-12)6-7-16(13,14)10(4)9(2)3/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine?
2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(3-methylbutan-2-ylsulfonyl)butan-1-amine is sourced from PubChem (CID 107766945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).