2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane

C8H20N2O4S2 — CID 74892775

IUPAC2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane
SMILESCN(C)C(=O)C(O)C(O)C(=O)N(C)C.S.S
InChIInChI=1S/C8H16N2O4.2H2S/c1-9(2)7(13)5(11)6(12)8(14)10(3)4;;/h5-6,11-12H,1-4H3;2*1H2
InChIKeyMVEZOCVGAOWVEB-UHFFFAOYSA-N
MW272.39 g/mol
LogP-1.89
Rot. Bonds3

About 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane

2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane (PubChem CID 74892775) has the molecular formula C8H20N2O4S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane.

Molecular Properties

Compound Name2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane
PubChem CID74892775
Molecular FormulaC8H20N2O4S2
Molecular Weight272.39 g/mol
Exact Mass272.09
IUPAC Name2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane
SMILESCN(C)C(=O)C(O)C(O)C(=O)N(C)C.S.S
InChIInChI=1S/C8H16N2O4.2H2S/c1-9(2)7(13)5(11)6(12)8(14)10(3)4;;/h5-6,11-12H,1-4H3;2*1H2
InChIKeyMVEZOCVGAOWVEB-UHFFFAOYSA-N
XLogP-1.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane?
The IUPAC name of 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane (CID 74892775) is 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane.
What is the SMILES notation for 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane?
The canonical SMILES for 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane is CN(C)C(=O)C(O)C(O)C(=O)N(C)C.S.S.
What is the InChIKey of 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane?
The InChIKey is MVEZOCVGAOWVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4.2H2S/c1-9(2)7(13)5(11)6(12)8(14)10(3)4;;/h5-6,11-12H,1-4H3;2*1H2.
What are the key properties of 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane?
2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane has a molecular weight of 272.39 g/mol, XLogP of -1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide;sulfane is sourced from PubChem (CID 74892775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).