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

C7H13ClN2O2S — CID 114958264

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NC1CCN2CCCC12
InChIInChI=1S/C7H13ClN2O2S/c8-13(11,12)9-6-3-5-10-4-1-2-7(6)10/h6-7,9H,1-5H2
InChIKeyKNIPKSQUCSHSOP-UHFFFAOYSA-N
MW224.71 g/mol
LogP0.30
Rot. Bonds2

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

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride (PubChem CID 114958264) has the molecular formula C7H13ClN2O2S and a molecular weight of 224.71 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride
PubChem CID114958264
Molecular FormulaC7H13ClN2O2S
Molecular Weight224.71 g/mol
Exact Mass224.04
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NC1CCN2CCCC12
InChIInChI=1S/C7H13ClN2O2S/c8-13(11,12)9-6-3-5-10-4-1-2-7(6)10/h6-7,9H,1-5H2
InChIKeyKNIPKSQUCSHSOP-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
CID 63903096
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-5-sulfonamide
CID 61051569
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)formamide
CID 64992652
3-amino-2-bromo-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 62956544
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]methanesulfonamide
CID 82853111
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydroxybenzenesulfonamide
CID 81258644
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid
CID 54947383
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide
CID 106004507
2-bromo-4,6-difluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzenesulfonamide
CID 61217293
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106010976

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride (CID 114958264) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride is O=S(=O)(Cl)NC1CCN2CCCC12.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride?
The InChIKey is KNIPKSQUCSHSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O2S/c8-13(11,12)9-6-3-5-10-4-1-2-7(6)10/h6-7,9H,1-5H2.
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride has a molecular weight of 224.71 g/mol, XLogP of 0.30, 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)sulfamoyl chloride is sourced from PubChem (CID 114958264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).