N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine

C10H23NO2S — CID 59762109

IUPACN-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
SMILESCCN(CCC(C)C)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-5-11(7-6-10(2)3)8-9-14(4,12)13/h10H,5-9H2,1-4H3
InChIKeyXWXCVZQLUPGHPP-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.40
Rot. Bonds7

About N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine

N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine (PubChem CID 59762109) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
PubChem CID59762109
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
SMILESCCN(CCC(C)C)CCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-5-11(7-6-10(2)3)8-9-14(4,12)13/h10H,5-9H2,1-4H3
InChIKeyXWXCVZQLUPGHPP-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methylbutyl(2-methylsulfonylethyl)amino]ethanol
CID 174108432
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
3-methyl-1-methylsulfonylbutane
CID 20712453
N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine
CID 126739586
1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine
CID 79086946
N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190975
N,N-diethyl-3-hydrazinyl-6-methylsulfonylhexan-1-amine
CID 105243995
N-ethyl-N-(2-methylsulfonylethyl)heptan-4-amine
CID 155420092
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79482047
N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
[2-methylsulfonylethyl(propyl)amino]methanol
CID 174108429

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine (CID 59762109) is N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine is CCN(CCC(C)C)CCS(C)(=O)=O.
What is the InChIKey of N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine?
The InChIKey is XWXCVZQLUPGHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-5-11(7-6-10(2)3)8-9-14(4,12)13/h10H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine?
N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 59762109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).