propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate

C10H14N2O2S — CID 43301597

IUPACpropan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
SMILESCC(C)OC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C10H14N2O2S/c1-7(2)14-10(13)6-15-8-3-4-9(11)12-5-8/h3-5,7H,6H2,1-2H3,(H2,11,12)
InChIKeyVACWEZMZYCXBAF-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.71
Rot. Bonds4

About propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate

propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate (PubChem CID 43301597) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
PubChem CID43301597
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namepropan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate
SMILESCC(C)OC(=O)CSc1ccc(N)nc1
InChIInChI=1S/C10H14N2O2S/c1-7(2)14-10(13)6-15-8-3-4-9(11)12-5-8/h3-5,7H,6H2,1-2H3,(H2,11,12)
InChIKeyVACWEZMZYCXBAF-UHFFFAOYSA-N
XLogP1.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
The IUPAC name of propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate (CID 43301597) is propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate.
What is the SMILES notation for propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
The canonical SMILES for propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate is CC(C)OC(=O)CSc1ccc(N)nc1.
What is the InChIKey of propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
The InChIKey is VACWEZMZYCXBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7(2)14-10(13)6-15-8-3-4-9(11)12-5-8/h3-5,7H,6H2,1-2H3,(H2,11,12).
What are the key properties of propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate?
propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate has a molecular weight of 226.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(6-amino-3-pyridinyl)sulfanyl]acetate is sourced from PubChem (CID 43301597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).