2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine

C11H25NO2S — CID 62516582

IUPAC2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
SMILESCCC(CCS(C)(=O)=O)CNCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-11(6-7-15(4,13)14)9-12-8-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeySSEPMAPBKAGTNH-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.69
Rot. Bonds8

About 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine

2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine (PubChem CID 62516582) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
PubChem CID62516582
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
SMILESCCC(CCS(C)(=O)=O)CNCC(C)C
InChIInChI=1S/C11H25NO2S/c1-5-11(6-7-15(4,13)14)9-12-8-10(2)3/h10-12H,5-9H2,1-4H3
InChIKeySSEPMAPBKAGTNH-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 62515552
N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729671
N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692
3-(chloromethyl)-1-methylsulfonylpentane
CID 66036128
2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930447
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760
3-methyl-1-methylsulfonylbutane
CID 20712453
N-ethyl-4-methyl-2-(3-methylsulfonylpropyl)pentan-1-amine
CID 63195970
2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79437459
2-ethyl-N-[2-(2-methylsulfonylethoxy)ethyl]butan-1-amine
CID 115756976
4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 62514326

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine (CID 62516582) is 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine is CCC(CCS(C)(=O)=O)CNCC(C)C.
What is the InChIKey of 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine?
The InChIKey is SSEPMAPBKAGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-11(6-7-15(4,13)14)9-12-8-10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine?
2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 62516582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).