2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol

C6H15NO2S — CID 89290080

IUPAC2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol
SMILESCNC(CO)(CO)CSC
InChIInChI=1S/C6H15NO2S/c1-7-6(3-8,4-9)5-10-2/h7-9H,3-5H2,1-2H3
InChIKeyRCZFCDPVEZGFIQ-UHFFFAOYSA-N
MW165.26 g/mol
LogP-0.71
Rot. Bonds5

About 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol

2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol (PubChem CID 89290080) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol
PubChem CID89290080
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol
SMILESCNC(CO)(CO)CSC
InChIInChI=1S/C6H15NO2S/c1-7-6(3-8,4-9)5-10-2/h7-9H,3-5H2,1-2H3
InChIKeyRCZFCDPVEZGFIQ-UHFFFAOYSA-N
XLogP-0.71
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol?
The IUPAC name of 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol (CID 89290080) is 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol?
The canonical SMILES for 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol is CNC(CO)(CO)CSC.
What is the InChIKey of 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol?
The InChIKey is RCZFCDPVEZGFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-7-6(3-8,4-9)5-10-2/h7-9H,3-5H2,1-2H3.
What are the key properties of 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol?
2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol has a molecular weight of 165.26 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(methylsulfanylmethyl)propane-1,3-diol is sourced from PubChem (CID 89290080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).