N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide

C7H13N5O3S — CID 61066699

IUPACN-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCS(N)(=O)=O)n1cncn1
InChIInChI=1S/C7H13N5O3S/c1-6(12-5-9-4-11-12)7(13)10-2-3-16(8,14)15/h4-6H,2-3H2,1H3,(H,10,13)(H2,8,14,15)
InChIKeyAADUXVAXJGHQRV-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.76
Rot. Bonds5

About N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide

N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 61066699) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID61066699
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC NameN-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCCS(N)(=O)=O)n1cncn1
InChIInChI=1S/C7H13N5O3S/c1-6(12-5-9-4-11-12)7(13)10-2-3-16(8,14)15/h4-6H,2-3H2,1H3,(H,10,13)(H2,8,14,15)
InChIKeyAADUXVAXJGHQRV-UHFFFAOYSA-N
XLogP-1.76
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 42947749
2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46957626
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47036551
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47162051
N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 47937369
1-(4-Ethylsulfonylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 49618652
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 51081103
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 54901519
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothian-4-yl)acetamide
CID 54901620
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 54901713
N-(2-azidoethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 55137342
N-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanamide
CID 56816928

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 61066699) is N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCCS(N)(=O)=O)n1cncn1.
What is the InChIKey of N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is AADUXVAXJGHQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c1-6(12-5-9-4-11-12)7(13)10-2-3-16(8,14)15/h4-6H,2-3H2,1H3,(H,10,13)(H2,8,14,15).
What are the key properties of N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 247.28 g/mol, XLogP of -1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 61066699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).