N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide

C16H19N3O3S — CID 92520260

IUPACN-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-15-4-3-9-18(15)10-11-19(12)23(21,22)14-7-5-13(6-8-14)16(20)17-2/h3-9,12H,10-11H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyLBDFRPMYVZGUOB-LBPRGKRZSA-N
MW333.41 g/mol
LogP1.61
Rot. Bonds3

About N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide

N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide (PubChem CID 92520260) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide
PubChem CID92520260
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1
InChIInChI=1S/C16H19N3O3S/c1-12-15-4-3-9-18(15)10-11-19(12)23(21,22)14-7-5-13(6-8-14)16(20)17-2/h3-9,12H,10-11H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyLBDFRPMYVZGUOB-LBPRGKRZSA-N
XLogP1.61
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]pyrrolidin-2-one
CID 41142720
2-(3-bromophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 4804000
N-methyl-4-[(E)-3-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxoprop-1-enyl]benzamide
CID 37446009
N-methyl-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzamide
CID 82755291
methyl 5-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]thiophene-2-carboxylate
CID 95299833
1-[4-[[(1R)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]ethanone
CID 7387227
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide
CID 115312365
N-methyl-4-(2-methylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119969796
1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 45307785
4-[[1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzoic acid
CID 43994020
N-[4-[[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]acetamide
CID 7386954
1-methyl-2-(2-methyl-6-nitrophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 55907573

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide?
The IUPAC name of N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide (CID 92520260) is N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide?
The canonical SMILES for N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1.
What is the InChIKey of N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide?
The InChIKey is LBDFRPMYVZGUOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-15-4-3-9-18(15)10-11-19(12)23(21,22)14-7-5-13(6-8-14)16(20)17-2/h3-9,12H,10-11H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide?
N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide has a molecular weight of 333.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzamide is sourced from PubChem (CID 92520260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).