1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one

C17H23N3O4S — CID 97208631

IUPAC1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@]4(CCOC4)C3)ccc21
InChIInChI=1S/C17H23N3O4S/c1-18-14-5-4-13(10-15(14)19(2)16(18)21)25(22,23)20-8-3-6-17(11-20)7-9-24-12-17/h4-5,10H,3,6-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyFXLDIOBOHRFNAV-KRWDZBQOSA-N
MW365.46 g/mol
LogP1.07
Rot. Bonds2

About 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one

1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one (PubChem CID 97208631) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one
PubChem CID97208631
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@]4(CCOC4)C3)ccc21
InChIInChI=1S/C17H23N3O4S/c1-18-14-5-4-13(10-15(14)19(2)16(18)21)25(22,23)20-8-3-6-17(11-20)7-9-24-12-17/h4-5,10H,3,6-9,11-12H2,1-2H3/t17-/m0/s1
InChIKeyFXLDIOBOHRFNAV-KRWDZBQOSA-N
XLogP1.07
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one with MolForge

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Related Compounds

2-chloro-4-(2-oxa-9-azaspiro[4.5]decan-9-ylsulfonyl)benzoic acid
CID 146133649
5-(3-aminopiperidin-1-yl)sulfonyl-1,3-dimethylbenzimidazol-2-one
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5-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-1,3-dimethylbenzimidazol-2-one
CID 49454545
9-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]-2-oxa-9-azaspiro[4.5]decane
CID 72938317
1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
CID 146041276
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylbenzimidazol-2-one
CID 19259561
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 35141963
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 53000984
1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]sulfonylbenzimidazol-2-one
CID 163316215
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 7573828
1,3-dimethyl-5-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]sulfonylbenzimidazol-2-one
CID 95832120
7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane
CID 136561853

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one (CID 97208631) is 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one is Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@]4(CCOC4)C3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one?
The InChIKey is FXLDIOBOHRFNAV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-18-14-5-4-13(10-15(14)19(2)16(18)21)25(22,23)20-8-3-6-17(11-20)7-9-24-12-17/h4-5,10H,3,6-9,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one?
1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one has a molecular weight of 365.46 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one is sourced from PubChem (CID 97208631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).