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

C10H19ClN2O2S — CID 60959425

IUPAC3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCN2CCCC12
InChIInChI=1S/C10H19ClN2O2S/c11-5-2-8-16(14,15)12-9-4-7-13-6-1-3-10(9)13/h9-10,12H,1-8H2
InChIKeyZBWXIEIBIMFXNT-UHFFFAOYSA-N
MW266.79 g/mol
LogP0.77
Rot. Bonds5

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

3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide (PubChem CID 60959425) has the molecular formula C10H19ClN2O2S and a molecular weight of 266.79 g/mol. Its IUPAC name is 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide
PubChem CID60959425
Molecular FormulaC10H19ClN2O2S
Molecular Weight266.79 g/mol
Exact Mass266.09
IUPAC Name3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCN2CCCC12
InChIInChI=1S/C10H19ClN2O2S/c11-5-2-8-16(14,15)12-9-4-7-13-6-1-3-10(9)13/h9-10,12H,1-8H2
InChIKeyZBWXIEIBIMFXNT-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide (CID 60959425) is 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide is O=S(=O)(CCCCl)NC1CCN2CCCC12.
What is the InChIKey of 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide?
The InChIKey is ZBWXIEIBIMFXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2S/c11-5-2-8-16(14,15)12-9-4-7-13-6-1-3-10(9)13/h9-10,12H,1-8H2.
What are the key properties of 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide?
3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide has a molecular weight of 266.79 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 60959425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).