2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide

C11H18ClNO3S — CID 134924469

IUPAC2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide
SMILESO=S1(=O)C(Cl)C(N2CCOCC2)C12CCCC2
InChIInChI=1S/C11H18ClNO3S/c12-10-9(13-5-7-16-8-6-13)11(17(10,14)15)3-1-2-4-11/h9-10H,1-8H2
InChIKeyICSBHSSIZSTZBI-UHFFFAOYSA-N
MW279.79 g/mol
LogP0.99
Rot. Bonds1

About 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide

2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide (PubChem CID 134924469) has the molecular formula C11H18ClNO3S and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide.

Molecular Properties

Compound Name2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide
PubChem CID134924469
Molecular FormulaC11H18ClNO3S
Molecular Weight279.79 g/mol
Exact Mass279.07
IUPAC Name2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide
SMILESO=S1(=O)C(Cl)C(N2CCOCC2)C12CCCC2
InChIInChI=1S/C11H18ClNO3S/c12-10-9(13-5-7-16-8-6-13)11(17(10,14)15)3-1-2-4-11/h9-10H,1-8H2
InChIKeyICSBHSSIZSTZBI-UHFFFAOYSA-N
XLogP0.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-2,2-dimethyl-3-morpholin-4-ylthietane 1,1-dioxide
CID 3116740
2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide
CID 6610822
(1R,7S,9R)-9-chloro-1-morpholin-4-yl-8λ6-thiabicyclo[5.2.0]nonane 8,8-dioxide
CID 98162855
(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
CID 661770
2-(2,2-dimethyl-4-morpholin-4-yl-1,1-dioxothietan-3-yl)propan-2-ol
CID 23941173
(3R)-3-morpholin-4-ylthiolane 1,1-dioxide
CID 7072045
4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine
CID 11263993
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide
CID 871995
(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587
1-(morpholine-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65451097

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide?
The IUPAC name of 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide (CID 134924469) is 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide.
What is the SMILES notation for 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide?
The canonical SMILES for 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide is O=S1(=O)C(Cl)C(N2CCOCC2)C12CCCC2.
What is the InChIKey of 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide?
The InChIKey is ICSBHSSIZSTZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO3S/c12-10-9(13-5-7-16-8-6-13)11(17(10,14)15)3-1-2-4-11/h9-10H,1-8H2.
What are the key properties of 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide?
2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide has a molecular weight of 279.79 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-morpholin-4-yl-1λ6-thiaspiro[3.4]octane 1,1-dioxide is sourced from PubChem (CID 134924469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).