3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide

C10H21N3O3S — CID 63141905

IUPAC3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCS(N)(=O)=O)CCNC1
InChIInChI=1S/C10H21N3O3S/c1-2-10(4-6-12-8-10)9(14)13-5-3-7-17(11,15)16/h12H,2-8H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyMDEFHMDOCSEYLV-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.83
Rot. Bonds6

About 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide

3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (PubChem CID 63141905) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
PubChem CID63141905
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCCCS(N)(=O)=O)CCNC1
InChIInChI=1S/C10H21N3O3S/c1-2-10(4-6-12-8-10)9(14)13-5-3-7-17(11,15)16/h12H,2-8H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyMDEFHMDOCSEYLV-UHFFFAOYSA-N
XLogP-0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
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 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide (CID 63141905) is 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is CCC1(C(=O)NCCCS(N)(=O)=O)CCNC1.
What is the InChIKey of 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is MDEFHMDOCSEYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-2-10(4-6-12-8-10)9(14)13-5-3-7-17(11,15)16/h12H,2-8H2,1H3,(H,13,14)(H2,11,15,16).
What are the key properties of 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 263.36 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-sulfamoylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).