N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide

C6H12N6O3S — CID 61132241

IUPACN-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)Cn1cnnn1
InChIInChI=1S/C6H12N6O3S/c7-16(14,15)3-1-2-8-6(13)4-12-5-9-10-11-12/h5H,1-4H2,(H,8,13)(H2,7,14,15)
InChIKeySTEDIZMCJOWIKG-UHFFFAOYSA-N
MW248.27 g/mol
LogP-2.53
Rot. Bonds6

About N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide

N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 61132241) has the molecular formula C6H12N6O3S and a molecular weight of 248.27 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide
PubChem CID61132241
Molecular FormulaC6H12N6O3S
Molecular Weight248.27 g/mol
Exact Mass248.07
IUPAC NameN-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)Cn1cnnn1
InChIInChI=1S/C6H12N6O3S/c7-16(14,15)3-1-2-8-6(13)4-12-5-9-10-11-12/h5H,1-4H2,(H,8,13)(H2,7,14,15)
InChIKeySTEDIZMCJOWIKG-UHFFFAOYSA-N
XLogP-2.53
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-2.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(tetrazol-1-yl)acetamide
CID 45148250
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 54901713
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 61016534
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61066699
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61066852
N-(2-sulfamoylethyl)-2-(tetrazol-1-yl)acetamide
CID 61130292
N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61130858
N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61131298
N-(3-sulfamoylpropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61132734
2-(3-amino-1,2,4-triazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
CID 61140200
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylsulfonylpropyl)acetamide
CID 61140979

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide (CID 61132241) is N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide is NS(=O)(=O)CCCNC(=O)Cn1cnnn1.
What is the InChIKey of N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is STEDIZMCJOWIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6O3S/c7-16(14,15)3-1-2-8-6(13)4-12-5-9-10-11-12/h5H,1-4H2,(H,8,13)(H2,7,14,15).
What are the key properties of N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide?
N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 248.27 g/mol, XLogP of -2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 61132241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).