3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine

C8H17NOS — CID 58684021

IUPAC3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine
SMILESCC1OCCC1SCCCN
InChIInChI=1S/C8H17NOS/c1-7-8(3-5-10-7)11-6-2-4-9/h7-8H,2-6,9H2,1H3
InChIKeyMXDQCYQBUWLGMR-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.25
Rot. Bonds4

About 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine

3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine (PubChem CID 58684021) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine
PubChem CID58684021
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine
SMILESCC1OCCC1SCCCN
InChIInChI=1S/C8H17NOS/c1-7-8(3-5-10-7)11-6-2-4-9/h7-8H,2-6,9H2,1H3
InChIKeyMXDQCYQBUWLGMR-UHFFFAOYSA-N
XLogP1.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine?
The IUPAC name of 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine (CID 58684021) is 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine?
The canonical SMILES for 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine is CC1OCCC1SCCCN.
What is the InChIKey of 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine?
The InChIKey is MXDQCYQBUWLGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7-8(3-5-10-7)11-6-2-4-9/h7-8H,2-6,9H2,1H3.
What are the key properties of 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine?
3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine has a molecular weight of 175.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 58684021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).