(2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide

C9H14N2O3S — CID 73440574

IUPAC(2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide
SMILESCS(=O)(=O)N1CC=C[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C9H14N2O3S/c1-15(13,14)11-6-2-3-8(11)9(12)10-7-4-5-7/h2-3,7-8H,4-6H2,1H3,(H,10,12)/t8-/m1/s1
InChIKeyDBGAGFPCFUOGGN-MRVPVSSYSA-N
MW230.29 g/mol
LogP-0.54
Rot. Bonds3

About (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide

(2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide (PubChem CID 73440574) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide
PubChem CID73440574
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name(2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide
SMILESCS(=O)(=O)N1CC=C[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C9H14N2O3S/c1-15(13,14)11-6-2-3-8(11)9(12)10-7-4-5-7/h2-3,7-8H,4-6H2,1H3,(H,10,12)/t8-/m1/s1
InChIKeyDBGAGFPCFUOGGN-MRVPVSSYSA-N
XLogP-0.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide (CID 73440574) is (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide is CS(=O)(=O)N1CC=C[C@@H]1C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is DBGAGFPCFUOGGN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-15(13,14)11-6-2-3-8(11)9(12)10-7-4-5-7/h2-3,7-8H,4-6H2,1H3,(H,10,12)/t8-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide?
(2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 73440574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).