N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine

C5H14N2O2S — CID 170567653

IUPACN-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine
SMILESCN(C)S(O)(O)C1CNC1
InChIInChI=1S/C5H14N2O2S/c1-7(2)10(8,9)5-3-6-4-5/h5-6,8-9H,3-4H2,1-2H3
InChIKeyHYYKKOHPCBHENI-UHFFFAOYSA-N
MW166.25 g/mol
LogP0.19
Rot. Bonds2

About N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine

N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine (PubChem CID 170567653) has the molecular formula C5H14N2O2S and a molecular weight of 166.25 g/mol. Its IUPAC name is N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine
PubChem CID170567653
Molecular FormulaC5H14N2O2S
Molecular Weight166.25 g/mol
Exact Mass166.08
IUPAC NameN-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine
SMILESCN(C)S(O)(O)C1CNC1
InChIInChI=1S/C5H14N2O2S/c1-7(2)10(8,9)5-3-6-4-5/h5-6,8-9H,3-4H2,1-2H3
InChIKeyHYYKKOHPCBHENI-UHFFFAOYSA-N
XLogP0.19
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine?
The IUPAC name of N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine (CID 170567653) is N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine.
What is the SMILES notation for N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine?
The canonical SMILES for N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine is CN(C)S(O)(O)C1CNC1.
What is the InChIKey of N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine?
The InChIKey is HYYKKOHPCBHENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S/c1-7(2)10(8,9)5-3-6-4-5/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine?
N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine has a molecular weight of 166.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[azetidin-3-yl(dihydroxy)-λ4-sulfanyl]-N-methylmethanamine is sourced from PubChem (CID 170567653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).