1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine

C13H21N3O2S — CID 102883952

IUPAC1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCS(=O)(=O)CC2C)cn1
InChIInChI=1S/C13H21N3O2S/c1-3-12(14)13-5-4-11(8-15-13)16-6-7-19(17,18)9-10(16)2/h4-5,8,10,12H,3,6-7,9,14H2,1-2H3
InChIKeyWEBJLVNMOPVQRO-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.11
Rot. Bonds3

About 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine

1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine (PubChem CID 102883952) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
PubChem CID102883952
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(N2CCS(=O)(=O)CC2C)cn1
InChIInChI=1S/C13H21N3O2S/c1-3-12(14)13-5-4-11(8-15-13)16-6-7-19(17,18)9-10(16)2/h4-5,8,10,12H,3,6-7,9,14H2,1-2H3
InChIKeyWEBJLVNMOPVQRO-UHFFFAOYSA-N
XLogP1.11
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine with MolForge

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Related Compounds

N-ethyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]ethanamine
CID 102883931
(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 103937012
(1R)-1-[5-(2-methylazepan-1-yl)-2-pyridinyl]propan-1-amine
CID 103937411
1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine
CID 102884022
(1R)-1-[5-(2,3-dimethylthiomorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 104874543
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
(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-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]propan-1-amine
CID 103937439
(1S)-1-[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]propan-1-amine
CID 103937555
1-[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridinyl]propan-1-amine
CID 102726759
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine (CID 102883952) is 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(N2CCS(=O)(=O)CC2C)cn1.
What is the InChIKey of 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is WEBJLVNMOPVQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-12(14)13-5-4-11(8-15-13)16-6-7-19(17,18)9-10(16)2/h4-5,8,10,12H,3,6-7,9,14H2,1-2H3.
What are the key properties of 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine?
1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 102883952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).