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

C11H16N4OS2 — CID 127949547

IUPACN-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
SMILESCSc1nsc(NC(=O)N2CCC3CCCC32)n1
InChIInChI=1S/C11H16N4OS2/c1-17-10-12-9(18-14-10)13-11(16)15-6-5-7-3-2-4-8(7)15/h7-8H,2-6H2,1H3,(H,12,13,14,16)
InChIKeyLPQZHEIYBQGGRM-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.67
Rot. Bonds2

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

N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide (PubChem CID 127949547) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
PubChem CID127949547
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC NameN-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
SMILESCSc1nsc(NC(=O)N2CCC3CCCC32)n1
InChIInChI=1S/C11H16N4OS2/c1-17-10-12-9(18-14-10)13-11(16)15-6-5-7-3-2-4-8(7)15/h7-8H,2-6H2,1H3,(H,12,13,14,16)
InChIKeyLPQZHEIYBQGGRM-UHFFFAOYSA-N
XLogP2.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
The IUPAC name of N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide (CID 127949547) is N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide.
What is the SMILES notation for N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
The canonical SMILES for N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide is CSc1nsc(NC(=O)N2CCC3CCCC32)n1.
What is the InChIKey of N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
The InChIKey is LPQZHEIYBQGGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c1-17-10-12-9(18-14-10)13-11(16)15-6-5-7-3-2-4-8(7)15/h7-8H,2-6H2,1H3,(H,12,13,14,16).
What are the key properties of N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide?
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide has a molecular weight of 284.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide is sourced from PubChem (CID 127949547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).