2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol

C6H16N2O3S2 — CID 106245606

IUPAC2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol
SMILESCNS(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C6H16N2O3S2/c1-6(9,5-12-3)4-8-13(10,11)7-2/h7-9H,4-5H2,1-3H3
InChIKeySWKVHWAJTIBJPW-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.85
Rot. Bonds6

About 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol

2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol (PubChem CID 106245606) has the molecular formula C6H16N2O3S2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol
PubChem CID106245606
Molecular FormulaC6H16N2O3S2
Molecular Weight228.34 g/mol
Exact Mass228.06
IUPAC Name2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol
SMILESCNS(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C6H16N2O3S2/c1-6(9,5-12-3)4-8-13(10,11)7-2/h7-9H,4-5H2,1-3H3
InChIKeySWKVHWAJTIBJPW-UHFFFAOYSA-N
XLogP-0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol (CID 106245606) is 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol is CNS(=O)(=O)NCC(C)(O)CSC.
What is the InChIKey of 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol?
The InChIKey is SWKVHWAJTIBJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3S2/c1-6(9,5-12-3)4-8-13(10,11)7-2/h7-9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol?
2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol has a molecular weight of 228.34 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylsulfamoylamino)-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106245606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).