N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide

C8H16N2O2S — CID 60768309

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)9-7-4-6-10-5-2-3-8(7)10/h7-9H,2-6H2,1H3
InChIKeyLTTKDRYPIJCCMK-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.23
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide (PubChem CID 60768309) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide
PubChem CID60768309
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)9-7-4-6-10-5-2-3-8(7)10/h7-9H,2-6H2,1H3
InChIKeyLTTKDRYPIJCCMK-UHFFFAOYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide (CID 60768309) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide is CS(=O)(=O)NC1CCN2CCCC12.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide?
The InChIKey is LTTKDRYPIJCCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13(11,12)9-7-4-6-10-5-2-3-8(7)10/h7-9H,2-6H2,1H3.
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide has a molecular weight of 204.29 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanesulfonamide is sourced from PubChem (CID 60768309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).