2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine

C10H20N2O3S — CID 116816802

IUPAC2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(N)C1N1CCCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-2-15-9-7-8(11)10(9)12-5-3-4-6-16(12,13)14/h8-10H,2-7,11H2,1H3
InChIKeyIQWXRUJDXXQTBZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.08
Rot. Bonds3

About 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine

2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine (PubChem CID 116816802) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine
PubChem CID116816802
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(N)C1N1CCCCS1(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-2-15-9-7-8(11)10(9)12-5-3-4-6-16(12,13)14/h8-10H,2-7,11H2,1H3
InChIKeyIQWXRUJDXXQTBZ-UHFFFAOYSA-N
XLogP-0.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-azaspiro[3.4]octan-2-yl)-3-ethoxycyclobutan-1-amine
CID 79677703
2-(2-azaspiro[3.3]heptan-2-yl)-3-ethoxycyclobutan-1-amine
CID 79677954
3-ethoxy-2-(3-ethylazetidin-1-yl)cyclobutan-1-amine
CID 79677468
N-(2-amino-4-ethoxycyclobutyl)pyrrolidine-1-sulfonamide
CID 66197438
2-(2-amino-4-ethoxycyclobutyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 66197269
(1R,2R,3R)-3-ethoxy-2-pyrazol-1-ylcyclobutan-1-amine
CID 124710362
2-(2-amino-4-ethoxycyclobutyl)-4H-isoquinoline-1,3-dione
CID 66195341
3-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclobutan-1-amine
CID 61349589
N-(2-amino-4-ethoxycyclobutyl)cyclooctanecarboxamide
CID 66194926
2-(2-amino-4-ethoxycyclobutyl)-3-methylideneisoindol-1-one
CID 66194764
2-ethoxycyclopentan-1-amine
CID 16792821
3-cyclopentyloxy-2-ethoxycyclobutan-1-amine
CID 104676119

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine?
The IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine (CID 116816802) is 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine is CCOC1CC(N)C1N1CCCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine?
The InChIKey is IQWXRUJDXXQTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-15-9-7-8(11)10(9)12-5-3-4-6-16(12,13)14/h8-10H,2-7,11H2,1H3.
What are the key properties of 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine?
2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine has a molecular weight of 248.35 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiazinan-2-yl)-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 116816802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).