(3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C13H22N4O4S — CID 129347380

IUPAC(3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc([C@@H]2COCCN2S(=O)(=O)N2CCCCCC2)o1
InChIInChI=1S/C13H22N4O4S/c1-11-14-15-13(21-11)12-10-20-9-8-17(12)22(18,19)16-6-4-2-3-5-7-16/h12H,2-10H2,1H3/t12-/m0/s1
InChIKeyNDOHLMCWYYAYQM-LBPRGKRZSA-N
MW330.41 g/mol
LogP0.87
Rot. Bonds3

About (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

(3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 129347380) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID129347380
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name(3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc([C@@H]2COCCN2S(=O)(=O)N2CCCCCC2)o1
InChIInChI=1S/C13H22N4O4S/c1-11-14-15-13(21-11)12-10-20-9-8-17(12)22(18,19)16-6-4-2-3-5-7-16/h12H,2-10H2,1H3/t12-/m0/s1
InChIKeyNDOHLMCWYYAYQM-LBPRGKRZSA-N
XLogP0.87
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
CID 125018734
2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 95841554
(3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine
CID 70727495
(2R)-2-cycloheptyloxy-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327268
methyl 4-(azepan-1-ylsulfonyl)morpholine-3-carboxylate
CID 115672152
2-methyl-5-[(2S)-1-(2-methylphenyl)sulfonylazepan-2-yl]-1,3,4-oxadiazole
CID 164630808
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
2-(4-fluorophenyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128998164
(2,4-difluoro-5-methylphenyl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325984
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673
2-(1-cyclopentylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
CID 110421409
2-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,3,4-oxadiazole
CID 73439255

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 129347380) is (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc([C@@H]2COCCN2S(=O)(=O)N2CCCCCC2)o1.
What is the InChIKey of (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is NDOHLMCWYYAYQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-11-14-15-13(21-11)12-10-20-9-8-17(12)22(18,19)16-6-4-2-3-5-7-16/h12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
(3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 330.41 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 129347380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).