1-amino-4-thiophen-2-ylsulfanylbutan-2-ol

C8H13NOS2 — CID 64814678

IUPAC1-amino-4-thiophen-2-ylsulfanylbutan-2-ol
SMILESNCC(O)CCSc1cccs1
InChIInChI=1S/C8H13NOS2/c9-6-7(10)3-5-12-8-2-1-4-11-8/h1-2,4,7,10H,3,5-6,9H2
InChIKeyHAQXIPGYAIPDHV-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds5

About 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol

1-amino-4-thiophen-2-ylsulfanylbutan-2-ol (PubChem CID 64814678) has the molecular formula C8H13NOS2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-thiophen-2-ylsulfanylbutan-2-ol
PubChem CID64814678
Molecular FormulaC8H13NOS2
Molecular Weight203.33 g/mol
Exact Mass203.04
IUPAC Name1-amino-4-thiophen-2-ylsulfanylbutan-2-ol
SMILESNCC(O)CCSc1cccs1
InChIInChI=1S/C8H13NOS2/c9-6-7(10)3-5-12-8-2-1-4-11-8/h1-2,4,7,10H,3,5-6,9H2
InChIKeyHAQXIPGYAIPDHV-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol?
The IUPAC name of 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol (CID 64814678) is 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol.
What is the SMILES notation for 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol?
The canonical SMILES for 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol is NCC(O)CCSc1cccs1.
What is the InChIKey of 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol?
The InChIKey is HAQXIPGYAIPDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS2/c9-6-7(10)3-5-12-8-2-1-4-11-8/h1-2,4,7,10H,3,5-6,9H2.
What are the key properties of 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol?
1-amino-4-thiophen-2-ylsulfanylbutan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-thiophen-2-ylsulfanylbutan-2-ol is sourced from PubChem (CID 64814678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).