N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine

C11H25NO2S — CID 115901103

IUPACN-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
SMILESCCS(=O)(=O)CC(C)NCC(C)C(C)C
InChIInChI=1S/C11H25NO2S/c1-6-15(13,14)8-11(5)12-7-10(4)9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyVHFDSILLGLNSQE-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.69
Rot. Bonds7

About N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine

N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine (PubChem CID 115901103) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
PubChem CID115901103
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
SMILESCCS(=O)(=O)CC(C)NCC(C)C(C)C
InChIInChI=1S/C11H25NO2S/c1-6-15(13,14)8-11(5)12-7-10(4)9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyVHFDSILLGLNSQE-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butan-1-amine
CID 64628962
1-ethylsulfonyl-2,3-dimethylbutane
CID 150789687
(2R)-2-(azepan-1-yl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methylbutan-1-amine
CID 99780884
N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 113350724
1-N-(1-ethylsulfonylpropan-2-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 115900721
(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine
CID 104868008
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655
N-(1-ethylsulfonylpropan-2-yl)-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115900724
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563
1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
CID 115901521

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine (CID 115901103) is N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine is CCS(=O)(=O)CC(C)NCC(C)C(C)C.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine?
The InChIKey is VHFDSILLGLNSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-6-15(13,14)8-11(5)12-7-10(4)9(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine?
N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 115901103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).