4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine

C14H23N3O2S — CID 126724569

IUPAC4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine
SMILESCc1cnc(NC2CN(S(C)(=O)=O)C2)cc1C(C)(C)C
InChIInChI=1S/C14H23N3O2S/c1-10-7-15-13(6-12(10)14(2,3)4)16-11-8-17(9-11)20(5,18)19/h6-7,11H,8-9H2,1-5H3,(H,15,16)
InChIKeyKBSMYMWRFNNMHS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.74
Rot. Bonds3

About 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine

4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine (PubChem CID 126724569) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine
PubChem CID126724569
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine
SMILESCc1cnc(NC2CN(S(C)(=O)=O)C2)cc1C(C)(C)C
InChIInChI=1S/C14H23N3O2S/c1-10-7-15-13(6-12(10)14(2,3)4)16-11-8-17(9-11)20(5,18)19/h6-7,11H,8-9H2,1-5H3,(H,15,16)
InChIKeyKBSMYMWRFNNMHS-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine?
The IUPAC name of 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine (CID 126724569) is 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine?
The canonical SMILES for 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine is Cc1cnc(NC2CN(S(C)(=O)=O)C2)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine?
The InChIKey is KBSMYMWRFNNMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-7-15-13(6-12(10)14(2,3)4)16-11-8-17(9-11)20(5,18)19/h6-7,11H,8-9H2,1-5H3,(H,15,16).
What are the key properties of 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine?
4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine has a molecular weight of 297.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methyl-N-(1-methylsulfonylazetidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 126724569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).