N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine

C13H21N3OS — CID 113323710

IUPACN-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine
SMILESCC(C)(C)Nc1cccc(N2CCS(=O)CC2)n1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)15-11-5-4-6-12(14-11)16-7-9-18(17)10-8-16/h4-6H,7-10H2,1-3H3,(H,14,15)
InChIKeyKHTDUQWOVQORLT-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.86
Rot. Bonds2

About N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine

N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine (PubChem CID 113323710) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine
PubChem CID113323710
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine
SMILESCC(C)(C)Nc1cccc(N2CCS(=O)CC2)n1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)15-11-5-4-6-12(14-11)16-7-9-18(17)10-8-16/h4-6H,7-10H2,1-3H3,(H,14,15)
InChIKeyKHTDUQWOVQORLT-UHFFFAOYSA-N
XLogP1.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine (CID 113323710) is N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine is CC(C)(C)Nc1cccc(N2CCS(=O)CC2)n1.
What is the InChIKey of N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine?
The InChIKey is KHTDUQWOVQORLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)15-11-5-4-6-12(14-11)16-7-9-18(17)10-8-16/h4-6H,7-10H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine?
N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine has a molecular weight of 267.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine is sourced from PubChem (CID 113323710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).