N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C11H18N4O2S — CID 167097560

IUPACN-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCOC1N=C(NC(=O)N2CC3CCCC3C2)SN1
InChIInChI=1S/C11H18N4O2S/c1-17-9-12-10(18-14-9)13-11(16)15-5-7-3-2-4-8(7)6-15/h7-9,14H,2-6H2,1H3,(H,12,13,16)
InChIKeyPQWIDYKZJBABJF-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.97
Rot. Bonds1

About N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 167097560) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID167097560
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCOC1N=C(NC(=O)N2CC3CCCC3C2)SN1
InChIInChI=1S/C11H18N4O2S/c1-17-9-12-10(18-14-9)13-11(16)15-5-7-3-2-4-8(7)6-15/h7-9,14H,2-6H2,1H3,(H,12,13,16)
InChIKeyPQWIDYKZJBABJF-UHFFFAOYSA-N
XLogP0.97
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 167097560) is N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is COC1N=C(NC(=O)N2CC3CCCC3C2)SN1.
What is the InChIKey of N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is PQWIDYKZJBABJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-17-9-12-10(18-14-9)13-11(16)15-5-7-3-2-4-8(7)6-15/h7-9,14H,2-6H2,1H3,(H,12,13,16).
What are the key properties of N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,3-dihydro-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 167097560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).