3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine

C11H17N3S — CID 80621765

IUPAC3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CC(N)C1CCCS1
InChIInChI=1S/C11H17N3S/c12-9(10-4-2-6-15-10)7-8-3-1-5-14-11(8)13/h1,3,5,9-10H,2,4,6-7,12H2,(H2,13,14)
InChIKeyBADDQNRORFEUIW-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.43
Rot. Bonds3

About 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine

3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine (PubChem CID 80621765) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine
PubChem CID80621765
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CC(N)C1CCCS1
InChIInChI=1S/C11H17N3S/c12-9(10-4-2-6-15-10)7-8-3-1-5-14-11(8)13/h1,3,5,9-10H,2,4,6-7,12H2,(H2,13,14)
InChIKeyBADDQNRORFEUIW-UHFFFAOYSA-N
XLogP1.43
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-1-(thiolan-2-yl)ethanamine
CID 80623175
2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine
CID 104794195
2-(3-chloro-2-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 102857840
2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine
CID 80622702
quinolin-5-yl(thiolan-2-yl)methanamine
CID 81224263
3-[(cyclobutylamino)methyl]pyridin-2-amine
CID 117212619
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine
CID 79659414
3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 116767017
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine
CID 80623180
3-[2-(ethylamino)-2-(3-ethyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 115387989
2-(2-bromo-4-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 80626889

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine (CID 80621765) is 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine is Nc1ncccc1CC(N)C1CCCS1.
What is the InChIKey of 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine?
The InChIKey is BADDQNRORFEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-9(10-4-2-6-15-10)7-8-3-1-5-14-11(8)13/h1,3,5,9-10H,2,4,6-7,12H2,(H2,13,14).
What are the key properties of 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine?
3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine has a molecular weight of 223.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 80621765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).