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

C12H19N3OS — CID 112584315

IUPAC1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCS(=O)CC2)cn1
InChIInChI=1S/C12H19N3OS/c1-2-11(13)12-4-3-10(9-14-12)15-5-7-17(16)8-6-15/h3-4,9,11H,2,5-8,13H2,1H3
InChIKeyHRMJOLJFVCZFPW-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.06
Rot. Bonds3

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

1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine (PubChem CID 112584315) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
PubChem CID112584315
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCS(=O)CC2)cn1
InChIInChI=1S/C12H19N3OS/c1-2-11(13)12-4-3-10(9-14-12)15-5-7-17(16)8-6-15/h3-4,9,11H,2,5-8,13H2,1H3
InChIKeyHRMJOLJFVCZFPW-UHFFFAOYSA-N
XLogP1.06
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 103937012
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072
(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
(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-[5-(3,3-dimethylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584521
1-[4-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 103937415
1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939557
N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736474

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine (CID 112584315) is 1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(N2CCS(=O)CC2)cn1.
What is the InChIKey of 1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is HRMJOLJFVCZFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-11(13)12-4-3-10(9-14-12)15-5-7-17(16)8-6-15/h3-4,9,11H,2,5-8,13H2,1H3.
What are the key properties of 1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112584315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).