N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide

C9H18N2O2S — CID 78031052

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide
SMILESCN(C1CC2CNCC2C1)S(C)(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-11(14(2,12)13)9-3-7-5-10-6-8(7)4-9/h7-10H,3-6H2,1-2H3
InChIKeyKEBRLBLRTIVSBA-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.12
Rot. Bonds2

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide (PubChem CID 78031052) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide
PubChem CID78031052
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide
SMILESCN(C1CC2CNCC2C1)S(C)(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-11(14(2,12)13)9-3-7-5-10-6-8(7)4-9/h7-10H,3-6H2,1-2H3
InChIKeyKEBRLBLRTIVSBA-UHFFFAOYSA-N
XLogP-0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide (CID 78031052) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide is CN(C1CC2CNCC2C1)S(C)(=O)=O.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide?
The InChIKey is KEBRLBLRTIVSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-11(14(2,12)13)9-3-7-5-10-6-8(7)4-9/h7-10H,3-6H2,1-2H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide has a molecular weight of 218.32 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 78031052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).