2-(thiolan-3-ylamino)but-3-en-1-ol

C8H15NOS — CID 131206958

IUPAC2-(thiolan-3-ylamino)but-3-en-1-ol
SMILESC=CC(CO)NC1CCSC1
InChIInChI=1S/C8H15NOS/c1-2-7(5-10)9-8-3-4-11-6-8/h2,7-10H,1,3-6H2
InChIKeyOIJHAYWQMGTSKH-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.63
Rot. Bonds4

About 2-(thiolan-3-ylamino)but-3-en-1-ol

2-(thiolan-3-ylamino)but-3-en-1-ol (PubChem CID 131206958) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-(thiolan-3-ylamino)but-3-en-1-ol.

Molecular Properties

Compound Name2-(thiolan-3-ylamino)but-3-en-1-ol
PubChem CID131206958
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-(thiolan-3-ylamino)but-3-en-1-ol
SMILESC=CC(CO)NC1CCSC1
InChIInChI=1S/C8H15NOS/c1-2-7(5-10)9-8-3-4-11-6-8/h2,7-10H,1,3-6H2
InChIKeyOIJHAYWQMGTSKH-UHFFFAOYSA-N
XLogP0.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(But-3-en-2-ylamino)ethylsulfanyl]propan-1-ol
CID 106310181
N-(2-but-3-enoxyethyl)thiolan-3-amine
CID 115896698

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylamino)but-3-en-1-ol?
The IUPAC name of 2-(thiolan-3-ylamino)but-3-en-1-ol (CID 131206958) is 2-(thiolan-3-ylamino)but-3-en-1-ol.
What is the SMILES notation for 2-(thiolan-3-ylamino)but-3-en-1-ol?
The canonical SMILES for 2-(thiolan-3-ylamino)but-3-en-1-ol is C=CC(CO)NC1CCSC1.
What is the InChIKey of 2-(thiolan-3-ylamino)but-3-en-1-ol?
The InChIKey is OIJHAYWQMGTSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-7(5-10)9-8-3-4-11-6-8/h2,7-10H,1,3-6H2.
What are the key properties of 2-(thiolan-3-ylamino)but-3-en-1-ol?
2-(thiolan-3-ylamino)but-3-en-1-ol has a molecular weight of 173.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylamino)but-3-en-1-ol is sourced from PubChem (CID 131206958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).