6-N-(thian-2-ylmethyl)pyridine-2,6-diamine

C11H17N3S — CID 80646834

IUPAC6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
SMILESNc1cccc(NCC2CCCCS2)n1
InChIInChI=1S/C11H17N3S/c12-10-5-3-6-11(14-10)13-8-9-4-1-2-7-15-9/h3,5-6,9H,1-2,4,7-8H2,(H3,12,13,14)
InChIKeyKLOPBKLHIRLAQQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.36
Rot. Bonds3

About 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine

6-N-(thian-2-ylmethyl)pyridine-2,6-diamine (PubChem CID 80646834) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
PubChem CID80646834
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
SMILESNc1cccc(NCC2CCCCS2)n1
InChIInChI=1S/C11H17N3S/c12-10-5-3-6-11(14-10)13-8-9-4-1-2-7-15-9/h3,5-6,9H,1-2,4,7-8H2,(H3,12,13,14)
InChIKeyKLOPBKLHIRLAQQ-UHFFFAOYSA-N
XLogP2.36
TPSA50.94 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 ≤ 52.36
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
2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine
CID 80852493
4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80852498
2-N-(thian-2-ylmethyl)pyridine-2,5-diamine
CID 80595595
6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80926536
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-bromo-2-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796124
3-nitro-2-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80852430
6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
CID 80586141
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
2-N-(thiolan-2-ylmethyl)quinoline-2,6-diamine
CID 80584933

Frequently Asked Questions

What is the IUPAC name of 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine (CID 80646834) is 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine is Nc1cccc(NCC2CCCCS2)n1.
What is the InChIKey of 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine?
The InChIKey is KLOPBKLHIRLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-10-5-3-6-11(14-10)13-8-9-4-1-2-7-15-9/h3,5-6,9H,1-2,4,7-8H2,(H3,12,13,14).
What are the key properties of 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine?
6-N-(thian-2-ylmethyl)pyridine-2,6-diamine has a molecular weight of 223.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(thian-2-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 80646834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).