1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol

C10H15NOS2 — CID 2777763

IUPAC1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESC=CCNCC(O)CSc1cccs1
InChIInChI=1S/C10H15NOS2/c1-2-5-11-7-9(12)8-14-10-4-3-6-13-10/h2-4,6,9,11-12H,1,5,7-8H2
InChIKeyIXOCGJIWZWSIHA-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.98
Rot. Bonds7

About 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol

1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol (PubChem CID 2777763) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol
PubChem CID2777763
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESC=CCNCC(O)CSc1cccs1
InChIInChI=1S/C10H15NOS2/c1-2-5-11-7-9(12)8-14-10-4-3-6-13-10/h2-4,6,9,11-12H,1,5,7-8H2
InChIKeyIXOCGJIWZWSIHA-UHFFFAOYSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol (CID 2777763) is 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol is C=CCNCC(O)CSc1cccs1.
What is the InChIKey of 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol?
The InChIKey is IXOCGJIWZWSIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-2-5-11-7-9(12)8-14-10-4-3-6-13-10/h2-4,6,9,11-12H,1,5,7-8H2.
What are the key properties of 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol?
1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol has a molecular weight of 229.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)-3-thiophen-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 2777763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).