2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine

C12H19N3S — CID 103275729

IUPAC2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine
SMILESCC1SCCC1Nc1cccnc1N(C)C
InChIInChI=1S/C12H19N3S/c1-9-10(6-8-16-9)14-11-5-4-7-13-12(11)15(2)3/h4-5,7,9-10,14H,6,8H2,1-3H3
InChIKeyQIYANNDFQYIOOL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.45
Rot. Bonds3

About 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine

2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine (PubChem CID 103275729) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine
PubChem CID103275729
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine
SMILESCC1SCCC1Nc1cccnc1N(C)C
InChIInChI=1S/C12H19N3S/c1-9-10(6-8-16-9)14-11-5-4-7-13-12(11)15(2)3/h4-5,7,9-10,14H,6,8H2,1-3H3
InChIKeyQIYANNDFQYIOOL-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine?
The IUPAC name of 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine (CID 103275729) is 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine is CC1SCCC1Nc1cccnc1N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine?
The InChIKey is QIYANNDFQYIOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-10(6-8-16-9)14-11-5-4-7-13-12(11)15(2)3/h4-5,7,9-10,14H,6,8H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine?
2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine has a molecular weight of 237.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine is sourced from PubChem (CID 103275729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).