2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine

C12H18N2OS — CID 107131580

IUPAC2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine
SMILESCCOc1ncccc1NCC1CCSC1
InChIInChI=1S/C12H18N2OS/c1-2-15-12-11(4-3-6-13-12)14-8-10-5-7-16-9-10/h3-4,6,10,14H,2,5,7-9H2,1H3
InChIKeyLGZLCQIXRRVHDG-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.65
Rot. Bonds5

About 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine

2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine (PubChem CID 107131580) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine
PubChem CID107131580
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine
SMILESCCOc1ncccc1NCC1CCSC1
InChIInChI=1S/C12H18N2OS/c1-2-15-12-11(4-3-6-13-12)14-8-10-5-7-16-9-10/h3-4,6,10,14H,2,5,7-9H2,1H3
InChIKeyLGZLCQIXRRVHDG-UHFFFAOYSA-N
XLogP2.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(thian-4-yl)pyridin-3-amine
CID 43706527
3-(thiolan-3-ylmethylamino)pyridine-2-carbonitrile
CID 107296225
N-(thiolan-3-ylmethyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 107131604
2-ethoxy-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 43706255
3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
CID 79462625
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2-ethoxy-N-octylpyridin-3-amine
CID 43706171
ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
CID 104695484
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine
CID 43706292
3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide
CID 107131685
2,4-dimethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131111
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine (CID 107131580) is 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine is CCOc1ncccc1NCC1CCSC1.
What is the InChIKey of 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine?
The InChIKey is LGZLCQIXRRVHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-15-12-11(4-3-6-13-12)14-8-10-5-7-16-9-10/h3-4,6,10,14H,2,5,7-9H2,1H3.
What are the key properties of 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine?
2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine has a molecular weight of 238.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(thiolan-3-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 107131580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).