N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C10H14N2O4S2 — CID 87208727

IUPACN-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCCCS(=O)(=O)N1Cc2cc(C(=O)NO)sc2C1
InChIInChI=1S/C10H14N2O4S2/c1-2-3-18(15,16)12-5-7-4-8(10(13)11-14)17-9(7)6-12/h4,14H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyNFJMEGSBPPVNOB-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.92
Rot. Bonds4

About N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 87208727) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
PubChem CID87208727
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC NameN-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
SMILESCCCS(=O)(=O)N1Cc2cc(C(=O)NO)sc2C1
InChIInChI=1S/C10H14N2O4S2/c1-2-3-18(15,16)12-5-7-4-8(10(13)11-14)17-9(7)6-12/h4,14H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyNFJMEGSBPPVNOB-UHFFFAOYSA-N
XLogP0.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 87208727) is N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CCCS(=O)(=O)N1Cc2cc(C(=O)NO)sc2C1.
What is the InChIKey of N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is NFJMEGSBPPVNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-2-3-18(15,16)12-5-7-4-8(10(13)11-14)17-9(7)6-12/h4,14H,2-3,5-6H2,1H3,(H,11,13).
What are the key properties of N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?
N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-propylsulfonyl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 87208727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).