4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide

C19H27N3O3S — CID 144767700

IUPAC4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCc1ccc2n1CCN(C(=O)C1C=CC(S(=O)(=O)N(C)C)=CC1C)C2C
InChIInChI=1S/C19H27N3O3S/c1-13-12-16(26(24,25)20(4)5)7-8-17(13)19(23)22-11-10-21-14(2)6-9-18(21)15(22)3/h6-9,12-13,15,17H,10-11H2,1-5H3
InChIKeyJXQSEAGMUUZRCC-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.30
Rot. Bonds3

About 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide

4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 144767700) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID144767700
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCc1ccc2n1CCN(C(=O)C1C=CC(S(=O)(=O)N(C)C)=CC1C)C2C
InChIInChI=1S/C19H27N3O3S/c1-13-12-16(26(24,25)20(4)5)7-8-17(13)19(23)22-11-10-21-14(2)6-9-18(21)15(22)3/h6-9,12-13,15,17H,10-11H2,1-5H3
InChIKeyJXQSEAGMUUZRCC-UHFFFAOYSA-N
XLogP2.30
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide (CID 144767700) is 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide is Cc1ccc2n1CCN(C(=O)C1C=CC(S(=O)(=O)N(C)C)=CC1C)C2C.
What is the InChIKey of 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is JXQSEAGMUUZRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-13-12-16(26(24,25)20(4)5)7-8-17(13)19(23)22-11-10-21-14(2)6-9-18(21)15(22)3/h6-9,12-13,15,17H,10-11H2,1-5H3.
What are the key properties of 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide?
4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 377.51 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-N,N,3-trimethylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 144767700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).