4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide

C11H23N3O2S — CID 54967691

IUPAC4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H23N3O2S/c12-6-1-2-9-17(15,16)13-10-5-8-14-7-3-4-11(10)14/h10-11,13H,1-9,12H2
InChIKeyDHASROGNPLMJBK-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.12
Rot. Bonds6

About 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide

4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide (PubChem CID 54967691) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide
PubChem CID54967691
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H23N3O2S/c12-6-1-2-9-17(15,16)13-10-5-8-14-7-3-4-11(10)14/h10-11,13H,1-9,12H2
InChIKeyDHASROGNPLMJBK-UHFFFAOYSA-N
XLogP-0.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide (CID 54967691) is 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide is NCCCCS(=O)(=O)NC1CCN2CCCC12.
What is the InChIKey of 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide?
The InChIKey is DHASROGNPLMJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c12-6-1-2-9-17(15,16)13-10-5-8-14-7-3-4-11(10)14/h10-11,13H,1-9,12H2.
What are the key properties of 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide?
4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butane-1-sulfonamide is sourced from PubChem (CID 54967691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).