N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide

C13H23N5O3S — CID 66853773

IUPACN-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide
SMILESCN(CN1C=C2C(=O)N(C3CCNCC3)CN2C1)S(C)(=O)=O
InChIInChI=1S/C13H23N5O3S/c1-15(22(2,20)21)8-16-7-12-13(19)18(10-17(12)9-16)11-3-5-14-6-4-11/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyKVTBVYPIPNROOK-UHFFFAOYSA-N
MW329.43 g/mol
LogP-1.20
Rot. Bonds4

About N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide

N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide (PubChem CID 66853773) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide
PubChem CID66853773
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC NameN-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide
SMILESCN(CN1C=C2C(=O)N(C3CCNCC3)CN2C1)S(C)(=O)=O
InChIInChI=1S/C13H23N5O3S/c1-15(22(2,20)21)8-16-7-12-13(19)18(10-17(12)9-16)11-3-5-14-6-4-11/h7,11,14H,3-6,8-10H2,1-2H3
InChIKeyKVTBVYPIPNROOK-UHFFFAOYSA-N
XLogP-1.20
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 66852833
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CID 66854055
CID 66854055
CID 66854160
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CID 66854224
CID 66854224
CID 45808883
CID 45808883
CID 74245039
CID 74245039
CID 80553929
CID 80553929
CID 90647276
CID 90647276
CID 167946242
CID 167946242

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide (CID 66853773) is N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide is CN(CN1C=C2C(=O)N(C3CCNCC3)CN2C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide?
The InChIKey is KVTBVYPIPNROOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-15(22(2,20)21)8-16-7-12-13(19)18(10-17(12)9-16)11-3-5-14-6-4-11/h7,11,14H,3-6,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide?
N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide has a molecular weight of 329.43 g/mol, XLogP of -1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(7-oxo-6-piperidin-4-yl-3,5-dihydroimidazo[1,5-c]imidazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 66853773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).