3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine

C9H18N2O2S — CID 67216215

IUPAC3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine
SMILESNC1CC(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C9H18N2O2S/c10-9-5-8(6-9)7-11-1-3-14(12,13)4-2-11/h8-9H,1-7,10H2
InChIKeyXKOJOYBROMBXGG-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.55
Rot. Bonds2

About 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine

3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine (PubChem CID 67216215) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine
PubChem CID67216215
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine
SMILESNC1CC(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C9H18N2O2S/c10-9-5-8(6-9)7-11-1-3-14(12,13)4-2-11/h8-9H,1-7,10H2
InChIKeyXKOJOYBROMBXGG-UHFFFAOYSA-N
XLogP-0.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine (CID 67216215) is 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine is NC1CC(CN2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is XKOJOYBROMBXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-9-5-8(6-9)7-11-1-3-14(12,13)4-2-11/h8-9H,1-7,10H2.
What are the key properties of 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine?
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 218.32 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 67216215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).