N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C14H23N3O2S — CID 81246491

IUPACN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)16-11-12-10-15-5-4-13(12)17-6-8-20(18,19)9-7-17/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyABOZKNCQKMDTIZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.20
Rot. Bonds3

About N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 81246491) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID81246491
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnccc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H23N3O2S/c1-14(2,3)16-11-12-10-15-5-4-13(12)17-6-8-20(18,19)9-7-17/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyABOZKNCQKMDTIZ-UHFFFAOYSA-N
XLogP1.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 81246491) is N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnccc1N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ABOZKNCQKMDTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2,3)16-11-12-10-15-5-4-13(12)17-6-8-20(18,19)9-7-17/h4-5,10,16H,6-9,11H2,1-3H3.
What are the key properties of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 297.42 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81246491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).