6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one

C19H23N3O5S — CID 92581585

IUPAC6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@]4(CC=CNC4=O)C3)ccc21
InChIInChI=1S/C19H23N3O5S/c1-13(2)22-15-6-5-14(11-16(15)27-18(22)24)28(25,26)21-10-4-8-19(12-21)7-3-9-20-17(19)23/h3,5-6,9,11,13H,4,7-8,10,12H2,1-2H3,(H,20,23)/t19-/m0/s1
InChIKeyDGFRJQOIMGOQJN-IBGZPJMESA-N
MW405.48 g/mol
LogP1.98
Rot. Bonds3

About 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one

6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 92581585) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID92581585
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@]4(CC=CNC4=O)C3)ccc21
InChIInChI=1S/C19H23N3O5S/c1-13(2)22-15-6-5-14(11-16(15)27-18(22)24)28(25,26)21-10-4-8-19(12-21)7-3-9-20-17(19)23/h3,5-6,9,11,13H,4,7-8,10,12H2,1-2H3,(H,20,23)/t19-/m0/s1
InChIKeyDGFRJQOIMGOQJN-IBGZPJMESA-N
XLogP1.98
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-(3-fluoro-4-methoxyphenyl)sulfonyl-2,8-diazaspiro[5.5]undec-3-en-1-one
CID 110223837
6-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 16673813
6-[4-[3-(4-methylphenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzoxazol-2-one
CID 71843381
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-oxo-3-propan-2-yl-1,3-benzoxazole-6-sulfonamide
CID 98137628
3-propan-2-yl-6-[4-(thiophene-3-carbonyl)piperazin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 53121350
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzoxazol-2-one
CID 53121356
3-propan-2-yl-6-[4-(3-thiophen-2-ylprop-2-enoyl)piperazin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 71843379
N-(3-methylbutyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124919
6-[4-[3-(2-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-benzoxazol-2-one
CID 71843378
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-oxo-3-propan-2-yl-1,3-benzoxazole-6-sulfonamide
CID 51499702
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745
N-(4-chlorophenyl)-2-[1-[(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124902

Frequently Asked Questions

What is the IUPAC name of 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one (CID 92581585) is 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one is CC(C)n1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@]4(CC=CNC4=O)C3)ccc21.
What is the InChIKey of 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is DGFRJQOIMGOQJN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-13(2)22-15-6-5-14(11-16(15)27-18(22)24)28(25,26)21-10-4-8-19(12-21)7-3-9-20-17(19)23/h3,5-6,9,11,13H,4,7-8,10,12H2,1-2H3,(H,20,23)/t19-/m0/s1.
What are the key properties of 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one?
6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 405.48 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6R)-1-oxo-2,8-diazaspiro[5.5]undec-3-en-8-yl]sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 92581585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).