N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine

C12H19N3S — CID 79243435

IUPACN-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine
SMILESCNc1cccc(CN(C)C2CCSC2)n1
InChIInChI=1S/C12H19N3S/c1-13-12-5-3-4-10(14-12)8-15(2)11-6-7-16-9-11/h3-5,11H,6-9H2,1-2H3,(H,13,14)
InChIKeyBTZZLNCDJLRJPV-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine

N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine (PubChem CID 79243435) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine
PubChem CID79243435
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine
SMILESCNc1cccc(CN(C)C2CCSC2)n1
InChIInChI=1S/C12H19N3S/c1-13-12-5-3-4-10(14-12)8-15(2)11-6-7-16-9-11/h3-5,11H,6-9H2,1-2H3,(H,13,14)
InChIKeyBTZZLNCDJLRJPV-UHFFFAOYSA-N
XLogP2.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine (CID 79243435) is N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine is CNc1cccc(CN(C)C2CCSC2)n1.
What is the InChIKey of N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine?
The InChIKey is BTZZLNCDJLRJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-13-12-5-3-4-10(14-12)8-15(2)11-6-7-16-9-11/h3-5,11H,6-9H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine?
N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine has a molecular weight of 237.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[methyl(thiolan-3-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 79243435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).