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

C13H20ClN3OS — CID 62293345

IUPACN-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCS(=O)CC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3OS/c1-2-3-15-9-11-8-12(14)13(16-10-11)17-4-6-19(18)7-5-17/h8,10,15H,2-7,9H2,1H3
InChIKeyFVRSWMFKACGXID-UHFFFAOYSA-N
MW301.84 g/mol
LogP1.80
Rot. Bonds5

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

N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62293345) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62293345
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC NameN-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCS(=O)CC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3OS/c1-2-3-15-9-11-8-12(14)13(16-10-11)17-4-6-19(18)7-5-17/h8,10,15H,2-7,9H2,1H3
InChIKeyFVRSWMFKACGXID-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62293525
N-[[5-chloro-6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 63003113
N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62283822
1-[3-chloro-5-(propylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465095
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80630835
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62287828
N-[[3-fluoro-5-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 106532578
N-[(5-chloro-6-piperidin-1-yl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62281197
N-[[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80629616
N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62293345) is N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(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]propan-1-amine?
The InChIKey is FVRSWMFKACGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-2-3-15-9-11-8-12(14)13(16-10-11)17-4-6-19(18)7-5-17/h8,10,15H,2-7,9H2,1H3.
What are the key properties of N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 301.84 g/mol, XLogP of 1.80, 5 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]propan-1-amine is sourced from PubChem (CID 62293345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).