(2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C11H11Cl2N3O4S2 — CID 129325894

IUPAC(2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc([C@H]2CN(S(=O)(=O)c3cc(Cl)sc3Cl)CCO2)o1
InChIInChI=1S/C11H11Cl2N3O4S2/c1-6-14-15-11(20-6)7-5-16(2-3-19-7)22(17,18)8-4-9(12)21-10(8)13/h4,7H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyDKDPFMCKGZUISH-SSDOTTSWSA-N
MW384.27 g/mol
LogP2.51
Rot. Bonds3

About (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

(2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 129325894) has the molecular formula C11H11Cl2N3O4S2 and a molecular weight of 384.27 g/mol. Its IUPAC name is (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID129325894
Molecular FormulaC11H11Cl2N3O4S2
Molecular Weight384.27 g/mol
Exact Mass382.96
IUPAC Name(2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc([C@H]2CN(S(=O)(=O)c3cc(Cl)sc3Cl)CCO2)o1
InChIInChI=1S/C11H11Cl2N3O4S2/c1-6-14-15-11(20-6)7-5-16(2-3-19-7)22(17,18)8-4-9(12)21-10(8)13/h4,7H,2-3,5H2,1H3/t7-/m1/s1
InChIKeyDKDPFMCKGZUISH-SSDOTTSWSA-N
XLogP2.51
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 129325894) is (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(Cl)sc3Cl)CCO2)o1.
What is the InChIKey of (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is DKDPFMCKGZUISH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11Cl2N3O4S2/c1-6-14-15-11(20-6)7-5-16(2-3-19-7)22(17,18)8-4-9(12)21-10(8)13/h4,7H,2-3,5H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
(2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 384.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 129325894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).