(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide

C10H17NO3S — CID 871995

IUPAC(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide
SMILESO=S1(=O)C[C@@]2(N3CCOCC3)CCC[C@H]21
InChIInChI=1S/C10H17NO3S/c12-15(13)8-10(3-1-2-9(10)15)11-4-6-14-7-5-11/h9H,1-8H2/t9-,10+/m1/s1
InChIKeyLMSDNIXGYCSFGF-ZJUUUORDSA-N
MW231.32 g/mol
LogP0.04
Rot. Bonds1

About (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide

(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide (PubChem CID 871995) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide.

Molecular Properties

Compound Name(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide
PubChem CID871995
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide
SMILESO=S1(=O)C[C@@]2(N3CCOCC3)CCC[C@H]21
InChIInChI=1S/C10H17NO3S/c12-15(13)8-10(3-1-2-9(10)15)11-4-6-14-7-5-11/h9H,1-8H2/t9-,10+/m1/s1
InChIKeyLMSDNIXGYCSFGF-ZJUUUORDSA-N
XLogP0.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,7S,9R)-9-chloro-1-morpholin-4-yl-8λ6-thiabicyclo[5.2.0]nonane 8,8-dioxide
CID 98162855
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
4-ethyl-4-morpholin-4-yl-1,3,2-dioxathietane 2,2-dioxide
CID 139781712
(1-morpholin-4-ylcyclopentyl)-(oxan-4-yl)methanone
CID 79059005
3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
(1R,2S,13R)-2-methyl-1-morpholin-4-ium-4-yl-14,14-dioxo-14λ6-thiabicyclo[11.2.0]pentadecan-3-one
CID 7241189
(1R,2R,13S)-2-methyl-1-morpholin-4-ium-4-yl-14,14-dioxo-14λ6-thiabicyclo[11.2.0]pentadecan-3-one
CID 7241195
3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 64624261
1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione
CID 10785626
4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine
CID 23848485
4-morpholin-4-yloxane-4-carbaldehyde
CID 115021691
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide?
The IUPAC name of (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide (CID 871995) is (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide.
What is the SMILES notation for (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide?
The canonical SMILES for (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide is O=S1(=O)C[C@@]2(N3CCOCC3)CCC[C@H]21.
What is the InChIKey of (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide?
The InChIKey is LMSDNIXGYCSFGF-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H17NO3S/c12-15(13)8-10(3-1-2-9(10)15)11-4-6-14-7-5-11/h9H,1-8H2/t9-,10+/m1/s1.
What are the key properties of (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide?
(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide has a molecular weight of 231.32 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide is sourced from PubChem (CID 871995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).