N-(2-methylsulfonylethyl)propan-2-amine

C6H15NO2S — CID 60708370

IUPACN-(2-methylsulfonylethyl)propan-2-amine
SMILESCC(C)NCCS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-6(2)7-4-5-10(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyWIDXEYILRKFVGH-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.03
Rot. Bonds4

About N-(2-methylsulfonylethyl)propan-2-amine

N-(2-methylsulfonylethyl)propan-2-amine (PubChem CID 60708370) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)propan-2-amine
PubChem CID60708370
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC NameN-(2-methylsulfonylethyl)propan-2-amine
SMILESCC(C)NCCS(C)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-6(2)7-4-5-10(3,8)9/h6-7H,4-5H2,1-3H3
InChIKeyWIDXEYILRKFVGH-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
6-methylsulfonyl-N-propan-2-ylhexan-1-amine
CID 64505621
4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920037
(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 104867919
N-(2-methylsulfonylethyl)pentan-3-amine
CID 60711918
(1R)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81384341
(1S)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81385111
N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
CID 64645030
N-methyl-2-(2-methylsulfonylethylamino)propanamide
CID 60918919
N-(2-methylsulfonylethylsulfamoyl)propan-2-amine
CID 110612472
5-methyl-N-(2-methylsulfonylethyl)heptan-3-amine
CID 60920928
N,N-dimethyl-2-(2-methylsulfonylethylamino)propanamide
CID 60919155

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)propan-2-amine?
The IUPAC name of N-(2-methylsulfonylethyl)propan-2-amine (CID 60708370) is N-(2-methylsulfonylethyl)propan-2-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)propan-2-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)propan-2-amine is CC(C)NCCS(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylethyl)propan-2-amine?
The InChIKey is WIDXEYILRKFVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2)7-4-5-10(3,8)9/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(2-methylsulfonylethyl)propan-2-amine?
N-(2-methylsulfonylethyl)propan-2-amine has a molecular weight of 165.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 60708370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).