4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid

C11H21NO4S — CID 54999775

IUPAC4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid
SMILESCC(C)N(CC1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-9(2)12(8-10-5-6-10)17(15,16)7-3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyRYNGKALBYXNEQN-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds8

About 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid

4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid (PubChem CID 54999775) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid
PubChem CID54999775
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid
SMILESCC(C)N(CC1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-9(2)12(8-10-5-6-10)17(15,16)7-3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyRYNGKALBYXNEQN-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid (CID 54999775) is 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid is CC(C)N(CC1CC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid?
The InChIKey is RYNGKALBYXNEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)12(8-10-5-6-10)17(15,16)7-3-4-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid?
4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(propan-2-yl)sulfamoyl]butanoic acid is sourced from PubChem (CID 54999775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).