1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine

C12H18N2O3S — CID 79800002

IUPAC1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C12H18N2O3S/c1-9(13)6-10-2-3-11(7-14-10)17-12-4-5-18(15,16)8-12/h2-3,7,9,12H,4-6,8,13H2,1H3
InChIKeyGWHIKYCKFAGVIR-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.54
Rot. Bonds4

About 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine

1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine (PubChem CID 79800002) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine
PubChem CID79800002
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C12H18N2O3S/c1-9(13)6-10-2-3-11(7-14-10)17-12-4-5-18(15,16)8-12/h2-3,7,9,12H,4-6,8,13H2,1H3
InChIKeyGWHIKYCKFAGVIR-UHFFFAOYSA-N
XLogP0.54
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-cyclohexyloxy-2-pyridinyl)propan-2-amine
CID 79799617
1-[5-(oxolan-3-yloxy)-2-pyridinyl]propan-2-amine
CID 79800705
1-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]propan-2-ol
CID 113323142
1-[4-(1,1-dioxothietan-3-yl)oxyphenyl]propan-2-amine
CID 117391642
1-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-dimethylphenyl]propan-2-amine
CID 61057802
5-cyclohexyloxy-2-(2-methylpropyl)pyridine
CID 178141183
(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
CID 7102407
1-[5-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-pyridinyl]propan-2-amine
CID 79908461
1-[4-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]propan-2-amine
CID 107692941
1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
CID 79795581
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
1-[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 103136650

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine (CID 79800002) is 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine is CC(N)Cc1ccc(OC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine?
The InChIKey is GWHIKYCKFAGVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(13)6-10-2-3-11(7-14-10)17-12-4-5-18(15,16)8-12/h2-3,7,9,12H,4-6,8,13H2,1H3.
What are the key properties of 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine?
1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine has a molecular weight of 270.35 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-dioxothiolan-3-yl)oxy-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79800002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).