N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

C16H21N5O3S — CID 56903339

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cn3c(n2)CNCC3)cc1
InChIInChI=1S/C16H21N5O3S/c1-20(2)25(23,24)13-5-3-12(4-6-13)9-18-16(22)14-11-21-8-7-17-10-15(21)19-14/h3-6,11,17H,7-10H2,1-2H3,(H,18,22)
InChIKeyUCEAMTYKYWWZIU-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.17
Rot. Bonds5

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 56903339) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID56903339
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2cn3c(n2)CNCC3)cc1
InChIInChI=1S/C16H21N5O3S/c1-20(2)25(23,24)13-5-3-12(4-6-13)9-18-16(22)14-11-21-8-7-17-10-15(21)19-14/h3-6,11,17H,7-10H2,1-2H3,(H,18,22)
InChIKeyUCEAMTYKYWWZIU-UHFFFAOYSA-N
XLogP0.17
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide (CID 56903339) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cn3c(n2)CNCC3)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UCEAMTYKYWWZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-20(2)25(23,24)13-5-3-12(4-6-13)9-18-16(22)14-11-21-8-7-17-10-15(21)19-14/h3-6,11,17H,7-10H2,1-2H3,(H,18,22).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56903339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).