3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid

C9H16N2O4S — CID 60950576

IUPAC3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid
SMILESCCN(CC(C)C#N)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H16N2O4S/c1-3-11(7-8(2)6-10)16(14,15)5-4-9(12)13/h8H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyKEUFTOJNRKIENI-UHFFFAOYSA-N
MW248.30 g/mol
LogP0.27
Rot. Bonds7

About 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid

3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid (PubChem CID 60950576) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid
PubChem CID60950576
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid
SMILESCCN(CC(C)C#N)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H16N2O4S/c1-3-11(7-8(2)6-10)16(14,15)5-4-9(12)13/h8H,3-5,7H2,1-2H3,(H,12,13)
InChIKeyKEUFTOJNRKIENI-UHFFFAOYSA-N
XLogP0.27
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-cyanopropyl)-N-ethylbutane-1-sulfonamide
CID 116815412
3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950529
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950901
4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61384905
3-[2-methoxyethyl(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950187
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
CID 61384877
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
3-[[2-cyanopropyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 54988632
3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid (CID 60950576) is 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid is CCN(CC(C)C#N)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid?
The InChIKey is KEUFTOJNRKIENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-3-11(7-8(2)6-10)16(14,15)5-4-9(12)13/h8H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid?
3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid has a molecular weight of 248.30 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60950576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).