4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine

C11H17N3S — CID 107294876

IUPAC4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(NCC2CCSC2)ncc1N
InChIInChI=1S/C11H17N3S/c1-8-4-11(14-6-10(8)12)13-5-9-2-3-15-7-9/h4,6,9H,2-3,5,7,12H2,1H3,(H,13,14)
InChIKeyIKLQEYOKBJNFBE-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.14
Rot. Bonds3

About 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine

4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 107294876) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
PubChem CID107294876
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
SMILESCc1cc(NCC2CCSC2)ncc1N
InChIInChI=1S/C11H17N3S/c1-8-4-11(14-6-10(8)12)13-5-9-2-3-15-7-9/h4,6,9H,2-3,5,7,12H2,1H3,(H,13,14)
InChIKeyIKLQEYOKBJNFBE-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
CID 107294970
5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine
CID 107294937
4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 130692096
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
4-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416554
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717
2-hydrazinyl-6-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107298910
2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297738
4-bromo-2-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107131146
2-methyl-4-(thiolan-3-ylmethylamino)phenol
CID 107132308

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine (CID 107294876) is 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine is Cc1cc(NCC2CCSC2)ncc1N.
What is the InChIKey of 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is IKLQEYOKBJNFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-4-11(14-6-10(8)12)13-5-9-2-3-15-7-9/h4,6,9H,2-3,5,7,12H2,1H3,(H,13,14).
What are the key properties of 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine?
4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 223.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 107294876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).