(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine

C12H19N3O2S — CID 103937012

IUPAC(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C12H19N3O2S/c1-2-11(13)12-4-3-10(9-14-12)15-5-7-18(16,17)8-6-15/h3-4,9,11H,2,5-8,13H2,1H3/t11-/m0/s1
InChIKeyQDWAOKQNUFUROZ-NSHDSACASA-N
MW269.37 g/mol
LogP0.73
Rot. Bonds3

About (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine

(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine (PubChem CID 103937012) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
PubChem CID103937012
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(N2CCS(=O)(=O)CC2)cn1
InChIInChI=1S/C12H19N3O2S/c1-2-11(13)12-4-3-10(9-14-12)15-5-7-18(16,17)8-6-15/h3-4,9,11H,2,5-8,13H2,1H3/t11-/m0/s1
InChIKeyQDWAOKQNUFUROZ-NSHDSACASA-N
XLogP0.73
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine with MolForge

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Related Compounds

1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 112584315
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 102883952
1-[5-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]ethanamine
CID 114083488
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
1-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584521
(1S)-1-[5-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355142
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584254
(1R)-1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937123
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356557

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine (CID 103937012) is (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(N2CCS(=O)(=O)CC2)cn1.
What is the InChIKey of (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is QDWAOKQNUFUROZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-11(13)12-4-3-10(9-14-12)15-5-7-18(16,17)8-6-15/h3-4,9,11H,2,5-8,13H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 269.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).