(2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine

C10H14ClNO3S2 — CID 893450

IUPAC(2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)C[C@H](C)O1
InChIInChI=1S/C10H14ClNO3S2/c1-7-5-12(6-8(2)15-7)17(13,14)10-4-3-9(11)16-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyDTBWRVFIYFOPKO-OCAPTIKFSA-N
MW295.81 g/mol
LogP2.20
Rot. Bonds2

About (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine

(2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 893450) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID893450
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name(2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)C[C@H](C)O1
InChIInChI=1S/C10H14ClNO3S2/c1-7-5-12(6-8(2)15-7)17(13,14)10-4-3-9(11)16-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyDTBWRVFIYFOPKO-OCAPTIKFSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (CID 893450) is (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine is C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is DTBWRVFIYFOPKO-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-7-5-12(6-8(2)15-7)17(13,14)10-4-3-9(11)16-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8+.
What are the key properties of (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
(2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 295.81 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 893450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).