2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine

C12H18N2OS — CID 117238951

IUPAC2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine
SMILESNC(COc1cccnc1)C1CCSCC1
InChIInChI=1S/C12H18N2OS/c13-12(10-3-6-16-7-4-10)9-15-11-2-1-5-14-8-11/h1-2,5,8,10,12H,3-4,6-7,9,13H2
InChIKeyPRZUNGBNSOILJM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.93
Rot. Bonds4

About 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine

2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine (PubChem CID 117238951) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine
PubChem CID117238951
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine
SMILESNC(COc1cccnc1)C1CCSCC1
InChIInChI=1S/C12H18N2OS/c13-12(10-3-6-16-7-4-10)9-15-11-2-1-5-14-8-11/h1-2,5,8,10,12H,3-4,6-7,9,13H2
InChIKeyPRZUNGBNSOILJM-UHFFFAOYSA-N
XLogP1.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-1-(thian-4-yl)ethanamine
CID 117238803
1-(thian-4-yl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117238883
3-[2-amino-2-(thiolan-3-yl)ethoxy]phenol
CID 117237357
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
CID 117238948
1-pyridin-3-yl-3-(thian-4-yl)propan-2-amine
CID 105179945
2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
CID 117246006
1-pyridin-3-yloxypentan-2-amine
CID 117241763
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
CID 63907502
2-pyridin-3-yloxy-1-pyrrolidin-3-ylethanol
CID 117237507
1-cyclopentyl-2-quinolin-7-yloxyethanamine
CID 107313426
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine?
The IUPAC name of 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine (CID 117238951) is 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine.
What is the SMILES notation for 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine?
The canonical SMILES for 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine is NC(COc1cccnc1)C1CCSCC1.
What is the InChIKey of 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine?
The InChIKey is PRZUNGBNSOILJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-12(10-3-6-16-7-4-10)9-15-11-2-1-5-14-8-11/h1-2,5,8,10,12H,3-4,6-7,9,13H2.
What are the key properties of 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine?
2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine has a molecular weight of 238.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine is sourced from PubChem (CID 117238951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).