4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid

C10H19NO4S — CID 63954719

IUPAC4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
SMILESCCN(CC1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-11(8-9-5-6-9)16(14,15)7-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHRZWTVFJOMYUCP-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds8

About 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid

4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid (PubChem CID 63954719) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
PubChem CID63954719
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
SMILESCCN(CC1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-11(8-9-5-6-9)16(14,15)7-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHRZWTVFJOMYUCP-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(cyclopropylmethyl)-N-ethylpropane-1-sulfonamide
CID 63938909
4-[cyclobutylmethyl(methyl)sulfamoyl]butanoic acid
CID 62862361
N-(cyclopropylmethyl)-N-ethyl-2-(methylamino)ethanesulfonamide
CID 63955440
4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
CID 60948376
N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 107402812
2-[cyclopropylmethyl(2-ethoxyethylsulfonyl)amino]acetic acid
CID 63245775
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid
CID 82326450
4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid
CID 43588369
4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid
CID 54875088
4-[cyclopropylmethyl(propyl)amino]butanoic acid
CID 61441614

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid (CID 63954719) is 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid is CCN(CC1CC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid?
The InChIKey is HRZWTVFJOMYUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-11(8-9-5-6-9)16(14,15)7-3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid?
4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 63954719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).