(1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide

C16H21N3O2S — CID 7387277

IUPAC(1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
SMILESCc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H21N3O2S/c1-13-6-8-14(9-7-13)16-15-5-4-10-18(15)11-12-19(16)22(20,21)17(2)3/h4-10,16H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyPHAJXGHBISPCGL-MRXNPFEDSA-N
MW319.43 g/mol
LogP2.01
Rot. Bonds3

About (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide

(1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide (PubChem CID 7387277) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
PubChem CID7387277
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name(1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
SMILESCc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H21N3O2S/c1-13-6-8-14(9-7-13)16-15-5-4-10-18(15)11-12-19(16)22(20,21)17(2)3/h4-10,16H,11-12H2,1-3H3/t16-/m1/s1
InChIKeyPHAJXGHBISPCGL-MRXNPFEDSA-N
XLogP2.01
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 18580534
1-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42782458
(1S)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554106
(1R)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554107
1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 18580481
1-[4-[[(1R)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]phenyl]ethanone
CID 7387227
(1R)-1-(4-methylphenyl)-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387223
1-(2,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 43994129
1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 5043551
(1R)-2-(4-methylphenyl)sulfonyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387284
(1S)-2-methylsulfonyl-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 93071032
1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994070

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The IUPAC name of (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide (CID 7387277) is (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide.
What is the SMILES notation for (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The canonical SMILES for (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide is Cc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)N(C)C)cc1.
What is the InChIKey of (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
The InChIKey is PHAJXGHBISPCGL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-13-6-8-14(9-7-13)16-15-5-4-10-18(15)11-12-19(16)22(20,21)17(2)3/h4-10,16H,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide?
(1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide is sourced from PubChem (CID 7387277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).