2-(3-propylnonylsulfamoyl)acetic acid

C14H29NO4S — CID 174164647

IUPAC2-(3-propylnonylsulfamoyl)acetic acid
SMILESCCCCCCC(CCC)CCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C14H29NO4S/c1-3-5-6-7-9-13(8-4-2)10-11-15-20(18,19)12-14(16)17/h13,15H,3-12H2,1-2H3,(H,16,17)
InChIKeyRSTYZLGAVXTCSJ-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.77
Rot. Bonds13

About 2-(3-propylnonylsulfamoyl)acetic acid

2-(3-propylnonylsulfamoyl)acetic acid (PubChem CID 174164647) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(3-propylnonylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(3-propylnonylsulfamoyl)acetic acid
PubChem CID174164647
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name2-(3-propylnonylsulfamoyl)acetic acid
SMILESCCCCCCC(CCC)CCNS(=O)(=O)CC(=O)O
InChIInChI=1S/C14H29NO4S/c1-3-5-6-7-9-13(8-4-2)10-11-15-20(18,19)12-14(16)17/h13,15H,3-12H2,1-2H3,(H,16,17)
InChIKeyRSTYZLGAVXTCSJ-UHFFFAOYSA-N
XLogP2.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Dodecylsulfamoyl)acetic acid
CID 18988679
2-(Nonylsulfamoyl)propanoic acid
CID 20634432
3-[(2-Ethylhexyl)sulfamoyl]propanoic acid
CID 23461310
3-(Nonylsulfamoyl)propanoic acid
CID 54055847
Decan-1-amine;2-sulfoacetic acid
CID 172712791
Nonan-1-amine;2-sulfoacetic acid
CID 172774615
2-(3-Methyloctylsulfonylamino)acetic acid
CID 174164640
2-[(4-Methylcyclohexyl)sulfamoyl]acetic acid
CID 28773577
2-(6-Methylheptan-2-ylsulfamoyl)acetic acid
CID 43172996
3-(Cyclohexylmethylsulfamoyl)propanoic acid
CID 43173082
3-[(4-Methylcyclohexyl)sulfamoyl]propanoic acid
CID 43209528
3-[(2-Methylcyclohexyl)sulfamoyl]propanoic acid
CID 43209542

Frequently Asked Questions

What is the IUPAC name of 2-(3-propylnonylsulfamoyl)acetic acid?
The IUPAC name of 2-(3-propylnonylsulfamoyl)acetic acid (CID 174164647) is 2-(3-propylnonylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(3-propylnonylsulfamoyl)acetic acid?
The canonical SMILES for 2-(3-propylnonylsulfamoyl)acetic acid is CCCCCCC(CCC)CCNS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(3-propylnonylsulfamoyl)acetic acid?
The InChIKey is RSTYZLGAVXTCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c1-3-5-6-7-9-13(8-4-2)10-11-15-20(18,19)12-14(16)17/h13,15H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-propylnonylsulfamoyl)acetic acid?
2-(3-propylnonylsulfamoyl)acetic acid has a molecular weight of 307.46 g/mol, XLogP of 2.77, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylnonylsulfamoyl)acetic acid is sourced from PubChem (CID 174164647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).