1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol

C9H19NO2S — CID 62994837

IUPAC1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol
SMILESCNCC(O)CSC1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-10-6-8(11)7-13-9-2-4-12-5-3-9/h8-11H,2-7H2,1H3
InChIKeyBADWTMTWDKPTAO-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.48
Rot. Bonds5

About 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol

1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol (PubChem CID 62994837) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol
PubChem CID62994837
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol
SMILESCNCC(O)CSC1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-10-6-8(11)7-13-9-2-4-12-5-3-9/h8-11H,2-7H2,1H3
InChIKeyBADWTMTWDKPTAO-UHFFFAOYSA-N
XLogP0.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol (CID 62994837) is 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol is CNCC(O)CSC1CCOCC1.
What is the InChIKey of 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol?
The InChIKey is BADWTMTWDKPTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-10-6-8(11)7-13-9-2-4-12-5-3-9/h8-11H,2-7H2,1H3.
What are the key properties of 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol?
1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol has a molecular weight of 205.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 62994837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).