2-[3-(aminomethyl)thiolan-3-yl]oxyethanol

C7H15NO2S — CID 103376780

IUPAC2-[3-(aminomethyl)thiolan-3-yl]oxyethanol
SMILESNCC1(OCCO)CCSC1
InChIInChI=1S/C7H15NO2S/c8-5-7(10-3-2-9)1-4-11-6-7/h9H,1-6,8H2
InChIKeyRFYKTSXQLVARTN-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.17
Rot. Bonds4

About 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol

2-[3-(aminomethyl)thiolan-3-yl]oxyethanol (PubChem CID 103376780) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[3-(aminomethyl)thiolan-3-yl]oxyethanol
PubChem CID103376780
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name2-[3-(aminomethyl)thiolan-3-yl]oxyethanol
SMILESNCC1(OCCO)CCSC1
InChIInChI=1S/C7H15NO2S/c8-5-7(10-3-2-9)1-4-11-6-7/h9H,1-6,8H2
InChIKeyRFYKTSXQLVARTN-UHFFFAOYSA-N
XLogP-0.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol?
The IUPAC name of 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol (CID 103376780) is 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol.
What is the SMILES notation for 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol?
The canonical SMILES for 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol is NCC1(OCCO)CCSC1.
What is the InChIKey of 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol?
The InChIKey is RFYKTSXQLVARTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c8-5-7(10-3-2-9)1-4-11-6-7/h9H,1-6,8H2.
What are the key properties of 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol?
2-[3-(aminomethyl)thiolan-3-yl]oxyethanol has a molecular weight of 177.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)thiolan-3-yl]oxyethanol is sourced from PubChem (CID 103376780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).