(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine

C13H20N2OS — CID 105175729

IUPAC(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine
SMILESCCCOc1cncc(C(N)C2CCSC2)c1
InChIInChI=1S/C13H20N2OS/c1-2-4-16-12-6-11(7-15-8-12)13(14)10-3-5-17-9-10/h6-8,10,13H,2-5,9,14H2,1H3
InChIKeyOAYSCJISPMKKMT-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.62
Rot. Bonds5

About (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine

(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine (PubChem CID 105175729) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine
PubChem CID105175729
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine
SMILESCCCOc1cncc(C(N)C2CCSC2)c1
InChIInChI=1S/C13H20N2OS/c1-2-4-16-12-6-11(7-15-8-12)13(14)10-3-5-17-9-10/h6-8,10,13H,2-5,9,14H2,1H3
InChIKeyOAYSCJISPMKKMT-UHFFFAOYSA-N
XLogP2.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxyphenyl)-(thiolan-3-yl)methanamine
CID 105173284
(1-methoxy-4-methylcyclohexyl)-(5-propoxy-3-pyridinyl)methanamine
CID 116766241
N-[2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethyl]propan-1-amine
CID 116722846
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
CID 105121586
6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine
CID 105026358
tert-butyl 3-[amino-(5-ethoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 107092643
2-ethoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116720905
(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
CID 114330234
(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine
CID 105026739
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
2-ethoxy-2-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116758579
[2-cyclohexylsulfanyl-1-(5-propoxy-3-pyridinyl)ethyl]hydrazine
CID 105227942

Frequently Asked Questions

What is the IUPAC name of (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine?
The IUPAC name of (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine (CID 105175729) is (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine.
What is the SMILES notation for (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine?
The canonical SMILES for (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine is CCCOc1cncc(C(N)C2CCSC2)c1.
What is the InChIKey of (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine?
The InChIKey is OAYSCJISPMKKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-4-16-12-6-11(7-15-8-12)13(14)10-3-5-17-9-10/h6-8,10,13H,2-5,9,14H2,1H3.
What are the key properties of (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine?
(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine has a molecular weight of 252.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105175729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).