2-[butyl(cyclopropyl)sulfamoyl]acetic acid

C9H17NO4S — CID 60950849

IUPAC2-[butyl(cyclopropyl)sulfamoyl]acetic acid
SMILESCCCCN(C1CC1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H17NO4S/c1-2-3-6-10(8-4-5-8)15(13,14)7-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPBDAJKVLLFOPGN-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.67
Rot. Bonds7

About 2-[butyl(cyclopropyl)sulfamoyl]acetic acid

2-[butyl(cyclopropyl)sulfamoyl]acetic acid (PubChem CID 60950849) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)sulfamoyl]acetic acid
PubChem CID60950849
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-[butyl(cyclopropyl)sulfamoyl]acetic acid
SMILESCCCCN(C1CC1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C9H17NO4S/c1-2-3-6-10(8-4-5-8)15(13,14)7-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPBDAJKVLLFOPGN-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 61359922
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-butyl-N-cyclopropyl-1-piperidin-4-ylmethanesulfonamide
CID 54972450
N-butyl-N-cyclopropyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972501
N-(2-bromoethyl)-N-cyclopropylethanesulfonamide
CID 80667041
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
CID 114805583
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
CID 50849243
2-[heptyl(3-hydroxypropyl)sulfamoyl]acetic acid
CID 55028849
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[butyl(cyclopropyl)sulfamoyl]acetic acid (CID 60950849) is 2-[butyl(cyclopropyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[butyl(cyclopropyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[butyl(cyclopropyl)sulfamoyl]acetic acid is CCCCN(C1CC1)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[butyl(cyclopropyl)sulfamoyl]acetic acid?
The InChIKey is PBDAJKVLLFOPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-3-6-10(8-4-5-8)15(13,14)7-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[butyl(cyclopropyl)sulfamoyl]acetic acid?
2-[butyl(cyclopropyl)sulfamoyl]acetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)sulfamoyl]acetic acid is sourced from PubChem (CID 60950849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).