N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide

C10H20N2O3S — CID 167226761

IUPACN-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide
SMILESCOCC12CCCN1CC(NS(C)(=O)=O)C2
InChIInChI=1S/C10H20N2O3S/c1-15-8-10-4-3-5-12(10)7-9(6-10)11-16(2,13)14/h9,11H,3-8H2,1-2H3
InChIKeyJXUCYXGKCBJNTQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.21
Rot. Bonds4

About N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide

N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide (PubChem CID 167226761) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide
PubChem CID167226761
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide
SMILESCOCC12CCCN1CC(NS(C)(=O)=O)C2
InChIInChI=1S/C10H20N2O3S/c1-15-8-10-4-3-5-12(10)7-9(6-10)11-16(2,13)14/h9,11H,3-8H2,1-2H3
InChIKeyJXUCYXGKCBJNTQ-UHFFFAOYSA-N
XLogP-0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide?
The IUPAC name of N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide (CID 167226761) is N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide?
The canonical SMILES for N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide is COCC12CCCN1CC(NS(C)(=O)=O)C2.
What is the InChIKey of N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide?
The InChIKey is JXUCYXGKCBJNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-15-8-10-4-3-5-12(10)7-9(6-10)11-16(2,13)14/h9,11H,3-8H2,1-2H3.
What are the key properties of N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide?
N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]methanesulfonamide is sourced from PubChem (CID 167226761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).