(1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide

C13H17N3O3S — CID 167748130

IUPAC(1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cnc2n1CCC2)[C@@H]1CC[C@@H]2C[C@@H]21
InChIInChI=1S/C13H17N3O3S/c17-13(9-4-3-8-6-10(8)9)15-20(18,19)12-7-14-11-2-1-5-16(11)12/h7-10H,1-6H2,(H,15,17)/t8-,9-,10+/m1/s1
InChIKeySJBPSQWVXODKRC-BBBLOLIVSA-N
MW295.36 g/mol
LogP0.68
Rot. Bonds3

About (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide

(1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 167748130) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide
PubChem CID167748130
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name(1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide
SMILESO=C(NS(=O)(=O)c1cnc2n1CCC2)[C@@H]1CC[C@@H]2C[C@@H]21
InChIInChI=1S/C13H17N3O3S/c17-13(9-4-3-8-6-10(8)9)15-20(18,19)12-7-14-11-2-1-5-16(11)12/h7-10H,1-6H2,(H,15,17)/t8-,9-,10+/m1/s1
InChIKeySJBPSQWVXODKRC-BBBLOLIVSA-N
XLogP0.68
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide (CID 167748130) is (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide is O=C(NS(=O)(=O)c1cnc2n1CCC2)[C@@H]1CC[C@@H]2C[C@@H]21.
What is the InChIKey of (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is SJBPSQWVXODKRC-BBBLOLIVSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-13(9-4-3-8-6-10(8)9)15-20(18,19)12-7-14-11-2-1-5-16(11)12/h7-10H,1-6H2,(H,15,17)/t8-,9-,10+/m1/s1.
What are the key properties of (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide?
(1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)bicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 167748130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).