N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine

C13H19N3O2S — CID 62283630

IUPACN-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESO=S1(=O)CCN(c2ncccc2CNC2CC2)CC1
InChIInChI=1S/C13H19N3O2S/c17-19(18)8-6-16(7-9-19)13-11(2-1-5-14-13)10-15-12-3-4-12/h1-2,5,12,15H,3-4,6-10H2
InChIKeyGZQRPMZZADNYFS-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.57
Rot. Bonds4

About N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62283630) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62283630
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESO=S1(=O)CCN(c2ncccc2CNC2CC2)CC1
InChIInChI=1S/C13H19N3O2S/c17-19(18)8-6-16(7-9-19)13-11(2-1-5-14-13)10-15-12-3-4-12/h1-2,5,12,15H,3-4,6-10H2
InChIKeyGZQRPMZZADNYFS-UHFFFAOYSA-N
XLogP0.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279070
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79164505
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanol
CID 61257905
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62282985
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]ethanamine
CID 114057385
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80630739
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672
[2-(1,1-dioxo-1,4-thiazepan-4-yl)-3-pyridinyl]methanol
CID 114083554
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 114412833
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 82752978
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62294591
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81246999

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62283630) is N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine is O=S1(=O)CCN(c2ncccc2CNC2CC2)CC1.
What is the InChIKey of N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is GZQRPMZZADNYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-19(18)8-6-16(7-9-19)13-11(2-1-5-14-13)10-15-12-3-4-12/h1-2,5,12,15H,3-4,6-10H2.
What are the key properties of N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 281.38 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62283630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).