N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide

C13H21N5O3S — CID 23084226

IUPACN-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide
SMILESCN(Cc1ncc2n1C(=O)N(C1CCNCC1)C2)S(C)(=O)=O
InChIInChI=1S/C13H21N5O3S/c1-16(22(2,20)21)9-12-15-7-11-8-17(13(19)18(11)12)10-3-5-14-6-4-10/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyUOUYFLPUKLOCSC-UHFFFAOYSA-N
MW327.41 g/mol
LogP-0.19
Rot. Bonds4

About N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide

N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide (PubChem CID 23084226) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide
PubChem CID23084226
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC NameN-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide
SMILESCN(Cc1ncc2n1C(=O)N(C1CCNCC1)C2)S(C)(=O)=O
InChIInChI=1S/C13H21N5O3S/c1-16(22(2,20)21)9-12-15-7-11-8-17(13(19)18(11)12)10-3-5-14-6-4-10/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyUOUYFLPUKLOCSC-UHFFFAOYSA-N
XLogP-0.19
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide (CID 23084226) is N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide is CN(Cc1ncc2n1C(=O)N(C1CCNCC1)C2)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide?
The InChIKey is UOUYFLPUKLOCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-16(22(2,20)21)9-12-15-7-11-8-17(13(19)18(11)12)10-3-5-14-6-4-10/h7,10,14H,3-6,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide?
N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 23084226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).