N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C14H22ClN3OS — CID 62293525

IUPACN-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCS(=O)CC2)c(Cl)c1
InChIInChI=1S/C14H22ClN3OS/c1-14(2,3)17-10-11-8-12(15)13(16-9-11)18-4-6-20(19)7-5-18/h8-9,17H,4-7,10H2,1-3H3
InChIKeyVHADOBWKXZEMEY-UHFFFAOYSA-N
MW315.87 g/mol
LogP2.19
Rot. Bonds3

About N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62293525) has the molecular formula C14H22ClN3OS and a molecular weight of 315.87 g/mol. Its IUPAC name is N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62293525
Molecular FormulaC14H22ClN3OS
Molecular Weight315.87 g/mol
Exact Mass315.12
IUPAC NameN-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCS(=O)CC2)c(Cl)c1
InChIInChI=1S/C14H22ClN3OS/c1-14(2,3)17-10-11-8-12(15)13(16-9-11)18-4-6-20(19)7-5-18/h8-9,17H,4-7,10H2,1-3H3
InChIKeyVHADOBWKXZEMEY-UHFFFAOYSA-N
XLogP2.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62293525) is N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(N2CCS(=O)CC2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VHADOBWKXZEMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3OS/c1-14(2,3)17-10-11-8-12(15)13(16-9-11)18-4-6-20(19)7-5-18/h8-9,17H,4-7,10H2,1-3H3.
What are the key properties of N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 315.87 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62293525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).