2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol

C8H13NO2S — CID 155439748

IUPAC2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol
SMILESCc1ccc(C(C)(O)CNS)o1
InChIInChI=1S/C8H13NO2S/c1-6-3-4-7(11-6)8(2,10)5-9-12/h3-4,9-10,12H,5H2,1-2H3
InChIKeyYRXNABQWABCBFN-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.23
Rot. Bonds3

About 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol

2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol (PubChem CID 155439748) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol
PubChem CID155439748
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol
SMILESCc1ccc(C(C)(O)CNS)o1
InChIInChI=1S/C8H13NO2S/c1-6-3-4-7(11-6)8(2,10)5-9-12/h3-4,9-10,12H,5H2,1-2H3
InChIKeyYRXNABQWABCBFN-UHFFFAOYSA-N
XLogP1.23
TPSA45.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol (CID 155439748) is 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol is Cc1ccc(C(C)(O)CNS)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol?
The InChIKey is YRXNABQWABCBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6-3-4-7(11-6)8(2,10)5-9-12/h3-4,9-10,12H,5H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol?
2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol has a molecular weight of 187.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1-(sulfanylamino)propan-2-ol is sourced from PubChem (CID 155439748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).