4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol

C10H17NOS — CID 127003873

IUPAC4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol
SMILESCC(C)(CN)C(C)(O)c1ccsc1
InChIInChI=1S/C10H17NOS/c1-9(2,7-11)10(3,12)8-4-5-13-6-8/h4-6,12H,7,11H2,1-3H3
InChIKeyLLYKORKLSVQTBN-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol

4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol (PubChem CID 127003873) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol
PubChem CID127003873
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol
SMILESCC(C)(CN)C(C)(O)c1ccsc1
InChIInChI=1S/C10H17NOS/c1-9(2,7-11)10(3,12)8-4-5-13-6-8/h4-6,12H,7,11H2,1-3H3
InChIKeyLLYKORKLSVQTBN-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol?
The IUPAC name of 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol (CID 127003873) is 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol is CC(C)(CN)C(C)(O)c1ccsc1.
What is the InChIKey of 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol?
The InChIKey is LLYKORKLSVQTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-9(2,7-11)10(3,12)8-4-5-13-6-8/h4-6,12H,7,11H2,1-3H3.
What are the key properties of 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol?
4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-2-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 127003873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).