N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C17H25N5O4S — CID 136541036

IUPACN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cnc2n1CCC2)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H25N5O4S/c23-16(19-27(25,26)15-11-18-14-6-4-10-22(14)15)13-5-3-9-21(12-13)17(24)20-7-1-2-8-20/h11,13H,1-10,12H2,(H,19,23)
InChIKeyIMUIPWMPOXRUFD-UHFFFAOYSA-N
MW395.49 g/mol
LogP0.56
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 136541036) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID136541036
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cnc2n1CCC2)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C17H25N5O4S/c23-16(19-27(25,26)15-11-18-14-6-4-10-22(14)15)13-5-3-9-21(12-13)17(24)20-7-1-2-8-20/h11,13H,1-10,12H2,(H,19,23)
InChIKeyIMUIPWMPOXRUFD-UHFFFAOYSA-N
XLogP0.56
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 136541036) is N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is O=C(NS(=O)(=O)c1cnc2n1CCC2)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is IMUIPWMPOXRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c23-16(19-27(25,26)15-11-18-14-6-4-10-22(14)15)13-5-3-9-21(12-13)17(24)20-7-1-2-8-20/h11,13H,1-10,12H2,(H,19,23).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 136541036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).