N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

C14H21N3O2S — CID 81246999

IUPACN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(N2CCS(=O)(=O)CC2)c(CNC2CC2)cn1
InChIInChI=1S/C14H21N3O2S/c1-11-8-14(17-4-6-20(18,19)7-5-17)12(9-15-11)10-16-13-2-3-13/h8-9,13,16H,2-7,10H2,1H3
InChIKeyHOFJRURGTTXYKZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.88
Rot. Bonds4

About N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81246999) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81246999
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(N2CCS(=O)(=O)CC2)c(CNC2CC2)cn1
InChIInChI=1S/C14H21N3O2S/c1-11-8-14(17-4-6-20(18,19)7-5-17)12(9-15-11)10-16-13-2-3-13/h8-9,13,16H,2-7,10H2,1H3
InChIKeyHOFJRURGTTXYKZ-UHFFFAOYSA-N
XLogP0.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-(4,4-dimethylazepan-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254147
N-[[4-(3,3-dimethylpyrrolidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247817
N-[[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81248799
N-[[6-methyl-4-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249369
N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81253804
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81253602
N-[[4-(3,5-dimethylpyrazol-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254175
N-[[4-(2,4-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81247350
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80630739
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 43581752
N-[[6-methyl-4-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81253130
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 81246999) is N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(N2CCS(=O)(=O)CC2)c(CNC2CC2)cn1.
What is the InChIKey of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is HOFJRURGTTXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11-8-14(17-4-6-20(18,19)7-5-17)12(9-15-11)10-16-13-2-3-13/h8-9,13,16H,2-7,10H2,1H3.
What are the key properties of N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 295.41 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81246999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).