(3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one

C15H16N2O6S2 — CID 41094226

IUPAC(3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C15H16N2O6S2/c18-14-13(3-6-22-14)24-15-16-11-9-10(1-2-12(11)23-15)25(19,20)17-4-7-21-8-5-17/h1-2,9,13H,3-8H2/t13-/m0/s1
InChIKeySDFQAAAXXFGTOL-ZDUSSCGKSA-N
MW384.44 g/mol
LogP1.26
Rot. Bonds4

About (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one

(3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one (PubChem CID 41094226) has the molecular formula C15H16N2O6S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one
PubChem CID41094226
Molecular FormulaC15H16N2O6S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC Name(3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1
InChIInChI=1S/C15H16N2O6S2/c18-14-13(3-6-22-14)24-15-16-11-9-10(1-2-12(11)23-15)25(19,20)17-4-7-21-8-5-17/h1-2,9,13H,3-8H2/t13-/m0/s1
InChIKeySDFQAAAXXFGTOL-ZDUSSCGKSA-N
XLogP1.26
TPSA98.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one with MolForge

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Related Compounds

(3R)-3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]oxolan-2-one
CID 7569970
N-(4-methoxyphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanyl-1,3-benzoxazole-5-sulfonamide
CID 2362987
3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
CID 2948558
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 23797203
N-[1-(4-ethylphenyl)ethyl]-2-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 42897905
2-methyl-5-pyrrolidin-1-ylsulfonyl-1,3-benzoxazole
CID 110760491
(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 41169234
N-(3-bromo-4-methylphenyl)-5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-amine
CID 25349583
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2480101
6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
CID 847943
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one?
The IUPAC name of (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one (CID 41094226) is (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one.
What is the SMILES notation for (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one?
The canonical SMILES for (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one is O=C1OCC[C@@H]1Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1.
What is the InChIKey of (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one?
The InChIKey is SDFQAAAXXFGTOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O6S2/c18-14-13(3-6-22-14)24-15-16-11-9-10(1-2-12(11)23-15)25(19,20)17-4-7-21-8-5-17/h1-2,9,13H,3-8H2/t13-/m0/s1.
What are the key properties of (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one?
(3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one has a molecular weight of 384.44 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-morpholin-4-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]oxolan-2-one is sourced from PubChem (CID 41094226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).