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

C10H14ClNO3S2 — CID 893452

IUPAC(2S,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-/m0/s1
InChIKeyDTBWRVFIYFOPKO-YUMQZZPRSA-N
MW295.81 g/mol
LogP2.20
Rot. Bonds2

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

(2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 893452) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID893452
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name(2S,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-/m0/s1
InChIKeyDTBWRVFIYFOPKO-YUMQZZPRSA-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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Related Compounds

2,6-Dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-sulfonamide
CID 2260512
5-chloro-N-4-morpholinyl-2-thiophenesulfonamide
CID 2140485
5-chloro-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 16196731
5-Chloro-N-(2-morpholinoethyl)thiophene-2-sulfonamide
CID 775849
4-(4-Bromo-5-chlorothiophen-2-yl)sulfonylmorpholine
CID 2741055
4-(5-Chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine
CID 2821016
1-[(5-Chlorothiophen-2-yl)sulfonyl]-3-(2,2,2-trifluoroethoxy)azetidine
CID 121018954
4-(2,5-Dichlorothiophen-3-yl)sulfonylmorpholine
CID 2805364
4-[(5-Chloro-2-thienyl)sulfonyl]-2,6-dimethylmorpholine
CID 2942672
4-(3-Bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
CID 6710854
2,5-dichloro-N-(3-morpholin-4-ylpropyl)thiophene-3-sulfonamide
CID 44755919

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (CID 893452) is (2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2S,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 (2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is DTBWRVFIYFOPKO-YUMQZZPRSA-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-/m0/s1.
What are the key properties of (2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
(2S,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 (2S,6S)-4-(5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 893452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).