N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

C14H21N3O2S — CID 80630739

IUPACN-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21N3O2S/c1-11-8-12(9-15-13-2-3-13)10-16-14(11)17-4-6-20(18,19)7-5-17/h8,10,13,15H,2-7,9H2,1H3
InChIKeyVBUFVJZVPSYXDQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.88
Rot. Bonds4

About N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 80630739) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID80630739
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H21N3O2S/c1-11-8-12(9-15-13-2-3-13)10-16-14(11)17-4-6-20(18,19)7-5-17/h8,10,13,15H,2-7,9H2,1H3
InChIKeyVBUFVJZVPSYXDQ-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-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499364
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80630835
N-[[6-(3,3-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635474
N-[[6-(2,6-dimethylthiomorpholin-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635458
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636296
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]butan-2-amine
CID 80634124
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81246999
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936
N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636282
N-[[5-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 80635691

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 80630739) is N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cnc1N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is VBUFVJZVPSYXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-11-8-12(9-15-13-2-3-13)10-16-14(11)17-4-6-20(18,19)7-5-17/h8,10,13,15H,2-7,9H2,1H3.
What are the key properties of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-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-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 80630739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).