N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide

C11H20N2O3S — CID 71971567

IUPACN-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CC2CCCC2C1
InChIInChI=1S/C11H20N2O3S/c1-8(12-17(2,15)16)11(14)13-6-9-4-3-5-10(9)7-13/h8-10,12H,3-7H2,1-2H3
InChIKeyWXTVZVKQSYHHBV-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.18
Rot. Bonds3

About N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide

N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 71971567) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide
PubChem CID71971567
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(=O)N1CC2CCCC2C1
InChIInChI=1S/C11H20N2O3S/c1-8(12-17(2,15)16)11(14)13-6-9-4-3-5-10(9)7-13/h8-10,12H,3-7H2,1-2H3
InChIKeyWXTVZVKQSYHHBV-UHFFFAOYSA-N
XLogP0.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide (CID 71971567) is N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(=O)N1CC2CCCC2C1.
What is the InChIKey of N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is WXTVZVKQSYHHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(12-17(2,15)16)11(14)13-6-9-4-3-5-10(9)7-13/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide?
N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 71971567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).