6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid

C11H21N3O6S — CID 106340011

IUPAC6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid
SMILESCS(=O)(=O)NCCCNC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C11H21N3O6S/c1-21(19,20)13-8-4-7-12-11(18)14-9(15)5-2-3-6-10(16)17/h13H,2-8H2,1H3,(H,16,17)(H2,12,14,15,18)
InChIKeyAMLFAPOGDUSORR-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.60
Rot. Bonds10

About 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid

6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid (PubChem CID 106340011) has the molecular formula C11H21N3O6S and a molecular weight of 323.37 g/mol. Its IUPAC name is 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid
PubChem CID106340011
Molecular FormulaC11H21N3O6S
Molecular Weight323.37 g/mol
Exact Mass323.12
IUPAC Name6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid
SMILESCS(=O)(=O)NCCCNC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C11H21N3O6S/c1-21(19,20)13-8-4-7-12-11(18)14-9(15)5-2-3-6-10(16)17/h13H,2-8H2,1H3,(H,16,17)(H2,12,14,15,18)
InChIKeyAMLFAPOGDUSORR-UHFFFAOYSA-N
XLogP-0.60
TPSA141.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336425
3-chloro-N-[2-(methanesulfonamido)ethylcarbamoyl]propanamide
CID 43546318
5-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 113287624
2-[3-(methanesulfonamido)propylcarbamoylamino]pent-4-enoic acid
CID 106340387
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
CID 106340083
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
CID 43153371
6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
CID 102906601
3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
CID 106340311
3-[3-(methanesulfonamido)propylcarbamoylamino]-2-methylbutanoic acid
CID 106340277
4-[2-(ethylsulfamoyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106340043
2-[4-(methanesulfonamido)butylamino]acetic acid
CID 169025259

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid?
The IUPAC name of 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid (CID 106340011) is 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid?
The canonical SMILES for 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid is CS(=O)(=O)NCCCNC(=O)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid?
The InChIKey is AMLFAPOGDUSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O6S/c1-21(19,20)13-8-4-7-12-11(18)14-9(15)5-2-3-6-10(16)17/h13H,2-8H2,1H3,(H,16,17)(H2,12,14,15,18).
What are the key properties of 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid?
6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid has a molecular weight of 323.37 g/mol, XLogP of -0.60, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methanesulfonamido)propylcarbamoylamino]-6-oxohexanoic acid is sourced from PubChem (CID 106340011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).