3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol

C8H17NOS — CID 130515149

IUPAC3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol
SMILESNCC1(CCCO)CCCS1
InChIInChI=1S/C8H17NOS/c9-7-8(3-1-5-10)4-2-6-11-8/h10H,1-7,9H2
InChIKeyPEBFXCUAFHAJEY-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.98
Rot. Bonds4

About 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol

3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol (PubChem CID 130515149) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol
PubChem CID130515149
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol
SMILESNCC1(CCCO)CCCS1
InChIInChI=1S/C8H17NOS/c9-7-8(3-1-5-10)4-2-6-11-8/h10H,1-7,9H2
InChIKeyPEBFXCUAFHAJEY-UHFFFAOYSA-N
XLogP0.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol?
The IUPAC name of 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol (CID 130515149) is 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol is NCC1(CCCO)CCCS1.
What is the InChIKey of 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol?
The InChIKey is PEBFXCUAFHAJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c9-7-8(3-1-5-10)4-2-6-11-8/h10H,1-7,9H2.
What are the key properties of 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol?
3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol has a molecular weight of 175.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)thiolan-2-yl]propan-1-ol is sourced from PubChem (CID 130515149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).