6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one

C15H19N3O4S — CID 95230701

IUPAC6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CC[C@]4(CCCNC4)C3)cc2o1
InChIInChI=1S/C15H19N3O4S/c19-14-17-12-3-2-11(8-13(12)22-14)23(20,21)18-7-5-15(10-18)4-1-6-16-9-15/h2-3,8,16H,1,4-7,9-10H2,(H,17,19)/t15-/m0/s1
InChIKeyCPNKWFUKTDXWST-HNNXBMFYSA-N
MW337.40 g/mol
LogP0.89
Rot. Bonds2

About 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one

6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one (PubChem CID 95230701) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
PubChem CID95230701
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CC[C@]4(CCCNC4)C3)cc2o1
InChIInChI=1S/C15H19N3O4S/c19-14-17-12-3-2-11(8-13(12)22-14)23(20,21)18-7-5-15(10-18)4-1-6-16-9-15/h2-3,8,16H,1,4-7,9-10H2,(H,17,19)/t15-/m0/s1
InChIKeyCPNKWFUKTDXWST-HNNXBMFYSA-N
XLogP0.89
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one 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

6-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)chromen-2-one
CID 56758430
6-(1-oxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3H-1,3-benzoxazol-2-one
CID 56900612
(3,5-dichlorophenyl)methyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 90019034
6-(3-methylpiperidin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 20866159
3-(2,9-diazaspiro[4.5]decan-2-ylsulfonyl)-N-methylbenzamide
CID 56756853
2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonane
CID 82038202
5-pyrrolidin-1-ylsulfonyl-3H-1,3-benzoxazol-2-one
CID 110760633
5,7-dimethyl-1'-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108782702
6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110739902
2-(5-chloro-2-methoxyphenyl)sulfonyl-2,9-diazaspiro[4.5]decane;hydrochloride
CID 154887610
2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850032
2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849967

Frequently Asked Questions

What is the IUPAC name of 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one (CID 95230701) is 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@]4(CCCNC4)C3)cc2o1.
What is the InChIKey of 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is CPNKWFUKTDXWST-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-14-17-12-3-2-11(8-13(12)22-14)23(20,21)18-7-5-15(10-18)4-1-6-16-9-15/h2-3,8,16H,1,4-7,9-10H2,(H,17,19)/t15-/m0/s1.
What are the key properties of 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one?
6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 337.40 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5S)-2,9-diazaspiro[4.5]decan-2-yl]sulfonyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 95230701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).