1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

C10H18N4O6S — CID 106340351

IUPAC1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCS(=O)(=O)NCCCNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H18N4O6S/c1-21(19,20)13-4-2-3-11-10(18)14-6-8(15)12-5-7(14)9(16)17/h7,13H,2-6H2,1H3,(H,11,18)(H,12,15)(H,16,17)
InChIKeyFVDVTICPBWCQPQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP-2.48
Rot. Bonds6

About 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid

1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 106340351) has the molecular formula C10H18N4O6S and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID106340351
Molecular FormulaC10H18N4O6S
Molecular Weight322.34 g/mol
Exact Mass322.09
IUPAC Name1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
SMILESCS(=O)(=O)NCCCNC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C10H18N4O6S/c1-21(19,20)13-4-2-3-11-10(18)14-6-8(15)12-5-7(14)9(16)17/h7,13H,2-6H2,1H3,(H,11,18)(H,12,15)(H,16,17)
InChIKeyFVDVTICPBWCQPQ-UHFFFAOYSA-N
XLogP-2.48
TPSA144.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106039103
1-[2-(dimethylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437245
5-oxo-1-(5,5,5-trifluoropentylcarbamoyl)piperazine-2-carboxylic acid
CID 107439094
(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106340340
1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439289
5-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperazine-2-carboxylic acid
CID 107438867
1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 106340335
5-oxo-1-(2,3,3-trimethylbutylcarbamoyl)piperazine-2-carboxylic acid
CID 107439163
1-(2-methylsulfanylpropylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107439258
1-(hexan-2-ylcarbamoyl)-5-oxopiperazine-2-carboxylic acid
CID 107438610
N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
CID 103617435
1-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106038391

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid (CID 106340351) is 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is CS(=O)(=O)NCCCNC(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is FVDVTICPBWCQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O6S/c1-21(19,20)13-4-2-3-11-10(18)14-6-8(15)12-5-7(14)9(16)17/h7,13H,2-6H2,1H3,(H,11,18)(H,12,15)(H,16,17).
What are the key properties of 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid?
1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 322.34 g/mol, XLogP of -2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 106340351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).