N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine

C11H25NO2S — CID 105017343

IUPACN-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine
SMILESCCNC(C(C)CC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-7-9(3)10(12-8-2)11(4,5)15(6,13)14/h9-10,12H,7-8H2,1-6H3
InChIKeyKXXJKHKCBUXSIM-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.83
Rot. Bonds6

About N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine

N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine (PubChem CID 105017343) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine
PubChem CID105017343
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine
SMILESCCNC(C(C)CC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-7-9(3)10(12-8-2)11(4,5)15(6,13)14/h9-10,12H,7-8H2,1-6H3
InChIKeyKXXJKHKCBUXSIM-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine
CID 114978377
2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017427
2-N,2-N,3-N-triethyl-2,4-dimethylhexane-2,3-diamine
CID 79445200
N-ethyl-2,5,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 114201731
1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine
CID 154626296
N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
CID 104987354
N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
CID 105005182
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol
CID 115821815
N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine
CID 107893649
N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
CID 115854389
(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105282659

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine?
The IUPAC name of N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine (CID 105017343) is N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine.
What is the SMILES notation for N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine?
The canonical SMILES for N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine is CCNC(C(C)CC)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine?
The InChIKey is KXXJKHKCBUXSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-7-9(3)10(12-8-2)11(4,5)15(6,13)14/h9-10,12H,7-8H2,1-6H3.
What are the key properties of N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine?
N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine has a molecular weight of 235.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine is sourced from PubChem (CID 105017343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).