1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine

C10H20N2OS — CID 79844518

IUPAC1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCS(=O)CC2)CCC1
InChIInChI=1S/C10H20N2OS/c11-10(2-1-3-10)4-5-12-6-8-14(13)9-7-12/h1-9,11H2
InChIKeyYSKJELLEOUEOGM-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.32
Rot. Bonds3

About 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine

1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine (PubChem CID 79844518) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine
PubChem CID79844518
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCS(=O)CC2)CCC1
InChIInChI=1S/C10H20N2OS/c11-10(2-1-3-10)4-5-12-6-8-14(13)9-7-12/h1-9,11H2
InChIKeyYSKJELLEOUEOGM-UHFFFAOYSA-N
XLogP0.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine (CID 79844518) is 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine is NC1(CCN2CCS(=O)CC2)CCC1.
What is the InChIKey of 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine?
The InChIKey is YSKJELLEOUEOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c11-10(2-1-3-10)4-5-12-6-8-14(13)9-7-12/h1-9,11H2.
What are the key properties of 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine?
1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine has a molecular weight of 216.35 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79844518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).