4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid

C10H19NO4S — CID 43569102

IUPAC4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-8(9-5-6-9)11(2)16(14,15)7-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRDXKOSBOZQEUKU-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds7

About 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid

4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid (PubChem CID 43569102) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid
PubChem CID43569102
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-8(9-5-6-9)11(2)16(14,15)7-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRDXKOSBOZQEUKU-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950661
3-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950822
2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61457876
3-[4-(Dimethylamino)pentan-2-ylsulfonyl]-2-methylbutanoic acid
CID 21348289
3-[2-Carboxypropyl(4-sulfopentan-2-yl)amino]butanoic acid
CID 139311383
4-[Butyl(methyl)sulfamoyl]butanoic acid
CID 28513685
4-[Methyl(propan-2-yl)sulfamoyl]butanoic acid
CID 28773535
4-[Cyclopropyl(ethyl)sulfamoyl]butanoic acid
CID 43264092
4-[Cyclopropyl(methyl)sulfamoyl]butanoic acid
CID 43264863
4-[Cyclopentyl(methyl)sulfamoyl]butanoic acid
CID 43267080
4-[Propan-2-yl(propyl)sulfamoyl]butanoic acid
CID 43269332
4-[Cyclopropyl(propyl)sulfamoyl]butanoic acid
CID 43270295

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid (CID 43569102) is 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid is CC(C1CC1)N(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid?
The InChIKey is RDXKOSBOZQEUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(9-5-6-9)11(2)16(14,15)7-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid?
4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropylethyl(methyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43569102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).