N-(3-sulfamoylpropyl)azetidine-2-carboxamide

C7H15N3O3S — CID 140621626

IUPACN-(3-sulfamoylpropyl)azetidine-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCN1
InChIInChI=1S/C7H15N3O3S/c8-14(12,13)5-1-3-10-7(11)6-2-4-9-6/h6,9H,1-5H2,(H,10,11)(H2,8,12,13)
InChIKeyWSVLYBGZFTZNSB-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.86
Rot. Bonds5

About N-(3-sulfamoylpropyl)azetidine-2-carboxamide

N-(3-sulfamoylpropyl)azetidine-2-carboxamide (PubChem CID 140621626) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)azetidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)azetidine-2-carboxamide
PubChem CID140621626
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC NameN-(3-sulfamoylpropyl)azetidine-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCN1
InChIInChI=1S/C7H15N3O3S/c8-14(12,13)5-1-3-10-7(11)6-2-4-9-6/h6,9H,1-5H2,(H,10,11)(H2,8,12,13)
InChIKeyWSVLYBGZFTZNSB-UHFFFAOYSA-N
XLogP-1.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.86
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 N-(3-sulfamoylpropyl)azetidine-2-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)azetidine-2-carboxamide (CID 140621626) is N-(3-sulfamoylpropyl)azetidine-2-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)azetidine-2-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)azetidine-2-carboxamide is NS(=O)(=O)CCCNC(=O)C1CCN1.
What is the InChIKey of N-(3-sulfamoylpropyl)azetidine-2-carboxamide?
The InChIKey is WSVLYBGZFTZNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c8-14(12,13)5-1-3-10-7(11)6-2-4-9-6/h6,9H,1-5H2,(H,10,11)(H2,8,12,13).
What are the key properties of N-(3-sulfamoylpropyl)azetidine-2-carboxamide?
N-(3-sulfamoylpropyl)azetidine-2-carboxamide has a molecular weight of 221.28 g/mol, XLogP of -1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)azetidine-2-carboxamide is sourced from PubChem (CID 140621626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).