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

C10H23NO2S — CID 114978377

IUPACN-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine
SMILESCCNC(C(C)C)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-7-11-9(8(2)3)10(4,5)14(6,12)13/h8-9,11H,7H2,1-6H3
InChIKeyZCDBAGXZAKSCDX-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.44
Rot. Bonds5

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

N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine (PubChem CID 114978377) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine
PubChem CID114978377
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine
SMILESCCNC(C(C)C)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-7-11-9(8(2)3)10(4,5)14(6,12)13/h8-9,11H,7H2,1-6H3
InChIKeyZCDBAGXZAKSCDX-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017343
N-ethyl-2,4,4-trimethylhexan-3-amine
CID 114978547
N-ethyl-2,5,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 114201731
N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
CID 105005182
N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine
CID 62599846
N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
CID 104987354
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105015897
2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017427
(3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105282659
2,5-dimethyl-2-methylsulfonyl-N-propyloctan-3-amine
CID 115845249
N-ethyl-2-methyl-2-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 115799186
1-(3,5-dimethylphenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115800160

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine?
The IUPAC name of N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine (CID 114978377) is N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine.
What is the SMILES notation for N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine?
The canonical SMILES for N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine is CCNC(C(C)C)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine?
The InChIKey is ZCDBAGXZAKSCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-7-11-9(8(2)3)10(4,5)14(6,12)13/h8-9,11H,7H2,1-6H3.
What are the key properties of N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine?
N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine has a molecular weight of 221.37 g/mol, XLogP of 1.44, 5 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-methylsulfonylpentan-3-amine is sourced from PubChem (CID 114978377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).