1-ethylsulfonyl-5-methyloctan-4-amine

C11H25NO2S — CID 115865333

IUPAC1-ethylsulfonyl-5-methyloctan-4-amine
SMILESCCCC(C)C(N)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-4-7-10(3)11(12)8-6-9-15(13,14)5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyNEKRGPVVUXCPHQ-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.96
Rot. Bonds8

About 1-ethylsulfonyl-5-methyloctan-4-amine

1-ethylsulfonyl-5-methyloctan-4-amine (PubChem CID 115865333) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 1-ethylsulfonyl-5-methyloctan-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-5-methyloctan-4-amine
PubChem CID115865333
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name1-ethylsulfonyl-5-methyloctan-4-amine
SMILESCCCC(C)C(N)CCCS(=O)(=O)CC
InChIInChI=1S/C11H25NO2S/c1-4-7-10(3)11(12)8-6-9-15(13,14)5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyNEKRGPVVUXCPHQ-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethylsulfonyl-2-methylsulfonylhexan-3-amine
CID 115865472
4-methyltetradecan-5-amine
CID 115831509
dipropan-2-yl 2-(3-ethylsulfonylpropyl)propanedioate
CID 103972736
5-chloro-1-ethylsulfonyl-4-methylhexane
CID 65095780
8-propylsulfonyloctan-4-amine
CID 106732204
1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine
CID 81189453
1-ethylsulfonyl-3-methylhexane
CID 150377536
4-decylsulfonylbutan-2-amine
CID 81195492
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545
3-butylsulfonylheptan-4-amine
CID 64676333
8-propan-2-ylsulfonyloctan-4-amine
CID 106732205

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-5-methyloctan-4-amine?
The IUPAC name of 1-ethylsulfonyl-5-methyloctan-4-amine (CID 115865333) is 1-ethylsulfonyl-5-methyloctan-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-5-methyloctan-4-amine?
The canonical SMILES for 1-ethylsulfonyl-5-methyloctan-4-amine is CCCC(C)C(N)CCCS(=O)(=O)CC.
What is the InChIKey of 1-ethylsulfonyl-5-methyloctan-4-amine?
The InChIKey is NEKRGPVVUXCPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-7-10(3)11(12)8-6-9-15(13,14)5-2/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-5-methyloctan-4-amine?
1-ethylsulfonyl-5-methyloctan-4-amine has a molecular weight of 235.39 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-5-methyloctan-4-amine is sourced from PubChem (CID 115865333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).