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

C10H15N3S — CID 107294970

IUPAC2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
SMILESNc1ccnc(NCC2CCSC2)c1
InChIInChI=1S/C10H15N3S/c11-9-1-3-12-10(5-9)13-6-8-2-4-14-7-8/h1,3,5,8H,2,4,6-7H2,(H3,11,12,13)
InChIKeyLACMPURLDHCSBZ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.83
Rot. Bonds3

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

2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine (PubChem CID 107294970) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
PubChem CID107294970
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
SMILESNc1ccnc(NCC2CCSC2)c1
InChIInChI=1S/C10H15N3S/c11-9-1-3-12-10(5-9)13-6-8-2-4-14-7-8/h1,3,5,8H,2,4,6-7H2,(H3,11,12,13)
InChIKeyLACMPURLDHCSBZ-UHFFFAOYSA-N
XLogP1.83
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 130692096
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
CID 107294876
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
2-hydrazinyl-6-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107298910
2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine
CID 107294982
2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298151
6-hydrazinyl-2-phenyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107298890
5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine
CID 107294937
methyl 4-(thiolan-3-ylmethylamino)pyridine-2-carboxylate
CID 107296619
6-N,2-diethyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298863

Frequently Asked Questions

What is the IUPAC name of 2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine (CID 107294970) is 2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine is Nc1ccnc(NCC2CCSC2)c1.
What is the InChIKey of 2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine?
The InChIKey is LACMPURLDHCSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-9-1-3-12-10(5-9)13-6-8-2-4-14-7-8/h1,3,5,8H,2,4,6-7H2,(H3,11,12,13).
What are the key properties of 2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine?
2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine has a molecular weight of 209.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 107294970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).