2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C16H21N5O3S — CID 126928671

IUPAC2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1ccnc1S(=O)(=O)N1CC(Cn2nc3c(cc2=O)CCCC3)C1
InChIInChI=1S/C16H21N5O3S/c1-19-7-6-17-16(19)25(23,24)20-9-12(10-20)11-21-15(22)8-13-4-2-3-5-14(13)18-21/h6-8,12H,2-5,9-11H2,1H3
InChIKeyNGIHVUOUNWUTNC-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.18
Rot. Bonds4

About 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928671) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928671
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCn1ccnc1S(=O)(=O)N1CC(Cn2nc3c(cc2=O)CCCC3)C1
InChIInChI=1S/C16H21N5O3S/c1-19-7-6-17-16(19)25(23,24)20-9-12(10-20)11-21-15(22)8-13-4-2-3-5-14(13)18-21/h6-8,12H,2-5,9-11H2,1H3
InChIKeyNGIHVUOUNWUTNC-UHFFFAOYSA-N
XLogP0.18
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928580
2-[[1-[(4-methyl-3-oxopyrazin-2-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862891
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928158
2-[[1-(2-imidazol-1-ylethyl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928767
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
N-cyclopentyl-3-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]azetidine-1-carboxamide
CID 126928517
2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928790
2-[[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928268
2-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862870
2-[[1-(1-methyl-2-oxoazepan-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928814

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928671) is 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is Cn1ccnc1S(=O)(=O)N1CC(Cn2nc3c(cc2=O)CCCC3)C1.
What is the InChIKey of 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is NGIHVUOUNWUTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-19-7-6-17-16(19)25(23,24)20-9-12(10-20)11-21-15(22)8-13-4-2-3-5-14(13)18-21/h6-8,12H,2-5,9-11H2,1H3.
What are the key properties of 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 363.44 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylimidazol-2-yl)sulfonylazetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).