6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one

C24H25ClN4O6S — CID 10052803

IUPAC6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CO)n3C2=O)CC1
InChIInChI=1S/C24H25ClN4O6S/c25-17-3-1-16-10-20(4-2-15(16)9-17)36(34,35)14-21(31)23(32)27-7-5-18(6-8-27)28-12-19-11-26-22(13-30)29(19)24(28)33/h1-4,9-11,18,21,30-31H,5-8,12-14H2/t21-/m1/s1
InChIKeyIITLRKMSLCAQEW-OAQYLSRUSA-N
MW533.01 g/mol
LogP1.79
Rot. Bonds6

About 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one

6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 10052803) has the molecular formula C24H25ClN4O6S and a molecular weight of 533.01 g/mol. Its IUPAC name is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID10052803
Molecular FormulaC24H25ClN4O6S
Molecular Weight533.01 g/mol
Exact Mass532.12
IUPAC Name6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESO=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CO)n3C2=O)CC1
InChIInChI=1S/C24H25ClN4O6S/c25-17-3-1-16-10-20(4-2-15(16)9-17)36(34,35)14-21(31)23(32)27-7-5-18(6-8-27)28-12-19-11-26-22(13-30)29(19)24(28)33/h1-4,9-11,18,21,30-31H,5-8,12-14H2/t21-/m1/s1
InChIKeyIITLRKMSLCAQEW-OAQYLSRUSA-N
XLogP1.79
TPSA133.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.01
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one (CID 10052803) is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one is O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CO)n3C2=O)CC1.
What is the InChIKey of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is IITLRKMSLCAQEW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25ClN4O6S/c25-17-3-1-16-10-20(4-2-15(16)9-17)36(34,35)14-21(31)23(32)27-7-5-18(6-8-27)28-12-19-11-26-22(13-30)29(19)24(28)33/h1-4,9-11,18,21,30-31H,5-8,12-14H2/t21-/m1/s1.
What are the key properties of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 533.01 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 10052803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).