3-ethylsulfonyl-2-methylpropan-1-amine

C6H15NO2S — CID 64698202

IUPAC3-ethylsulfonyl-2-methylpropan-1-amine
SMILESCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C6H15NO2S/c1-3-10(8,9)5-6(2)4-7/h6H,3-5,7H2,1-2H3
InChIKeyIQXCYCYYTSDLJJ-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.02
Rot. Bonds4

About 3-ethylsulfonyl-2-methylpropan-1-amine

3-ethylsulfonyl-2-methylpropan-1-amine (PubChem CID 64698202) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-ethylsulfonyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-2-methylpropan-1-amine
PubChem CID64698202
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name3-ethylsulfonyl-2-methylpropan-1-amine
SMILESCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C6H15NO2S/c1-3-10(8,9)5-6(2)4-7/h6H,3-5,7H2,1-2H3
InChIKeyIQXCYCYYTSDLJJ-UHFFFAOYSA-N
XLogP0.02
TPSA60.16 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 ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
2-methyl-3-(2-propan-2-ylsulfonylethylsulfonyl)propan-1-amine
CID 106735833
3-(cyclopropylmethylsulfonyl)-2-methylpropan-1-amine
CID 81201292
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
1-ethylsulfonyl-2,3-dimethylbutane
CID 150789687
2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
CID 81202392
3-(3-amino-2-methylpropyl)sulfonyl-N-methylpropanamide
CID 81202087
2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-amine
CID 81198035
4-(3-amino-2-methylpropyl)sulfonyl-2,2-dimethylbutanenitrile
CID 81202180
3-[(4-tert-butylphenyl)methylsulfonyl]-2-methylpropan-1-amine
CID 81198026
2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine
CID 112645685
3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
CID 103416130

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2-methylpropan-1-amine?
The IUPAC name of 3-ethylsulfonyl-2-methylpropan-1-amine (CID 64698202) is 3-ethylsulfonyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-2-methylpropan-1-amine?
The canonical SMILES for 3-ethylsulfonyl-2-methylpropan-1-amine is CCS(=O)(=O)CC(C)CN.
What is the InChIKey of 3-ethylsulfonyl-2-methylpropan-1-amine?
The InChIKey is IQXCYCYYTSDLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-3-10(8,9)5-6(2)4-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-ethylsulfonyl-2-methylpropan-1-amine?
3-ethylsulfonyl-2-methylpropan-1-amine has a molecular weight of 165.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2-methylpropan-1-amine is sourced from PubChem (CID 64698202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).