3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine

C8H20N2O2S — CID 79850078

IUPAC3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine
SMILESCC(N)C(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-7(9)8(2)10(3)5-6-13(4,11)12/h7-8H,5-6,9H2,1-4H3
InChIKeyAJQVXMUKBBZDGY-UHFFFAOYSA-N
MW208.33 g/mol
LogP-0.30
Rot. Bonds5

About 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine

3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine (PubChem CID 79850078) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine
PubChem CID79850078
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine
SMILESCC(N)C(C)N(C)CCS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-7(9)8(2)10(3)5-6-13(4,11)12/h7-8H,5-6,9H2,1-4H3
InChIKeyAJQVXMUKBBZDGY-UHFFFAOYSA-N
XLogP-0.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-1-(4-methylphenyl)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 79850163
3-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)pentane-2,3-diamine
CID 79849894
4-[1-[methyl(2-methylsulfonylethyl)amino]ethyl]aniline
CID 79842388
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 79849781
2-[methyl(2-methylsulfonylethyl)amino]butanamide
CID 78924974
3-amino-4-methoxy-2-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 114357469
1-chloro-N-methyl-N-(2-methylsulfonylethyl)propane-2-sulfonamide
CID 79859271
3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 114357468
2-amino-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79849868
2-amino-N,4-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858881
2-[1-[methyl(2-methylsulfonylethyl)amino]ethyl]benzene-1,3-diol
CID 107712009
methyl 3-[methyl(2-methylsulfonylethyl)amino]butanoate
CID 79850833

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine (CID 79850078) is 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine is CC(N)C(C)N(C)CCS(C)(=O)=O.
What is the InChIKey of 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine?
The InChIKey is AJQVXMUKBBZDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-7(9)8(2)10(3)5-6-13(4,11)12/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine?
3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine has a molecular weight of 208.33 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylsulfonylethyl)butane-2,3-diamine is sourced from PubChem (CID 79850078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).