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

C14H21N3O2S — CID 102886795

IUPACN-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CS(=O)(=O)CCN1c1ccncc1CNC1CC1
InChIInChI=1S/C14H21N3O2S/c1-11-10-20(18,19)7-6-17(11)14-4-5-15-8-12(14)9-16-13-2-3-13/h4-5,8,11,13,16H,2-3,6-7,9-10H2,1H3
InChIKeyKDOBXLJKVABGME-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.96
Rot. Bonds4

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

N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 102886795) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID102886795
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCC1CS(=O)(=O)CCN1c1ccncc1CNC1CC1
InChIInChI=1S/C14H21N3O2S/c1-11-10-20(18,19)7-6-17(11)14-4-5-15-8-12(14)9-16-13-2-3-13/h4-5,8,11,13,16H,2-3,6-7,9-10H2,1H3
InChIKeyKDOBXLJKVABGME-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[4-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81250159
N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073729
N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073996
N-[[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249841
N-[[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106965924
1-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 81247494
[5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol
CID 102884600
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 102884896
[4-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81249026
N-[[4-(4-chloropyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81254178
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
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-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 102886795) is N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine is CC1CS(=O)(=O)CCN1c1ccncc1CNC1CC1.
What is the InChIKey of N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KDOBXLJKVABGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11-10-20(18,19)7-6-17(11)14-4-5-15-8-12(14)9-16-13-2-3-13/h4-5,8,11,13,16H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 295.41 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 102886795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).