5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

C10H16ClN3S — CID 112665201

IUPAC5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ncc(CN)cc1Cl
InChIInChI=1S/C10H16ClN3S/c1-14(3-4-15-2)10-9(11)5-8(6-12)7-13-10/h5,7H,3-4,6,12H2,1-2H3
InChIKeyXGGCKBDTIGHZPB-UHFFFAOYSA-N
MW245.78 g/mol
LogP1.99
Rot. Bonds5

About 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 112665201) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID112665201
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1ncc(CN)cc1Cl
InChIInChI=1S/C10H16ClN3S/c1-14(3-4-15-2)10-9(11)5-8(6-12)7-13-10/h5,7H,3-4,6,12H2,1-2H3
InChIKeyXGGCKBDTIGHZPB-UHFFFAOYSA-N
XLogP1.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 112665201) is 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is CSCCN(C)c1ncc(CN)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is XGGCKBDTIGHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-14(3-4-15-2)10-9(11)5-8(6-12)7-13-10/h5,7H,3-4,6,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 245.78 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 112665201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).