2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine

C12H19N3S — CID 80852493

IUPAC2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NCC2CCCS2)n1
InChIInChI=1S/C12H19N3S/c1-2-13-11-6-3-7-12(15-11)14-9-10-5-4-8-16-10/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,13,14,15)
InChIKeyBOHQOFMPYMBZLW-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.82
Rot. Bonds5

About 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine (PubChem CID 80852493) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine
PubChem CID80852493
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine
SMILESCCNc1cccc(NCC2CCCS2)n1
InChIInChI=1S/C12H19N3S/c1-2-13-11-6-3-7-12(15-11)14-9-10-5-4-8-16-10/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,13,14,15)
InChIKeyBOHQOFMPYMBZLW-UHFFFAOYSA-N
XLogP2.82
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(thiolan-2-ylmethyl)pyridin-2-amine
CID 80585811
6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80646834
6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine
CID 80586610
2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80950697
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
2-tert-butyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965810
2-N,2-N-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80612818
6-ethoxy-N-(thiolan-2-ylmethyl)pyrazin-2-amine
CID 133374942
2-N-(thiolan-2-ylmethyl)quinoline-2,6-diamine
CID 80584933
2-N-methyl-6-N-(thiolan-2-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718955
6-(2-methylpropoxy)-2-N-(thiolan-2-ylmethyl)pyridine-2,5-diamine
CID 80584935
2-chloro-6-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586203

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine (CID 80852493) is 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine is CCNc1cccc(NCC2CCCS2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine?
The InChIKey is BOHQOFMPYMBZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-13-11-6-3-7-12(15-11)14-9-10-5-4-8-16-10/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,13,14,15).
What are the key properties of 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine has a molecular weight of 237.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80852493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).