(1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine

C13H20N2OS — CID 107750568

IUPAC(1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(SC2CCOC2C)cn1
InChIInChI=1S/C13H20N2OS/c1-3-11(14)12-5-4-10(8-15-12)17-13-6-7-16-9(13)2/h4-5,8-9,11,13H,3,6-7,14H2,1-2H3/t9?,11-,13?/m1/s1
InChIKeyGLUNFIKMXQGPGX-DMLGSKKGSA-N
MW252.38 g/mol
LogP2.76
Rot. Bonds4

About (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine

(1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine (PubChem CID 107750568) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine
PubChem CID107750568
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(SC2CCOC2C)cn1
InChIInChI=1S/C13H20N2OS/c1-3-11(14)12-5-4-10(8-15-12)17-13-6-7-16-9(13)2/h4-5,8-9,11,13H,3,6-7,14H2,1-2H3/t9?,11-,13?/m1/s1
InChIKeyGLUNFIKMXQGPGX-DMLGSKKGSA-N
XLogP2.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(oxetan-3-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 112585172
1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine
CID 107762287
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158
(1R)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 113355226
(1S)-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938124
(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-amine
CID 113355240
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-amine
CID 112584869
N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750520
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355221
[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine
CID 107751932
3-[[6-(1-aminopropyl)-3-pyridinyl]sulfanyl]propane-1,2-diol
CID 112585176
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
CID 107751940

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine (CID 107750568) is (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(SC2CCOC2C)cn1.
What is the InChIKey of (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine?
The InChIKey is GLUNFIKMXQGPGX-DMLGSKKGSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-11(14)12-5-4-10(8-15-12)17-13-6-7-16-9(13)2/h4-5,8-9,11,13H,3,6-7,14H2,1-2H3/t9?,11-,13?/m1/s1.
What are the key properties of (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine has a molecular weight of 252.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 107750568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).