3-(5-methylhexan-2-ylsulfamoyl)propanoic acid

C10H21NO4S — CID 43578597

IUPAC3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)CCC(C)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-8(2)4-5-9(3)11-16(14,15)7-6-10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyMPYVWZILMRYXMH-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.21
Rot. Bonds8

About 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid

3-(5-methylhexan-2-ylsulfamoyl)propanoic acid (PubChem CID 43578597) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
PubChem CID43578597
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name3-(5-methylhexan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)CCC(C)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H21NO4S/c1-8(2)4-5-9(3)11-16(14,15)7-6-10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyMPYVWZILMRYXMH-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butan-2-ylsulfamoyl)propanoic acid
CID 43209514
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide
CID 83092799
N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 63926727
3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
CID 61472996
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
CID 65192775
5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
CID 82854198
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
N-(6-methylheptan-2-yl)propane-1-sulfonamide
CID 61383965
3-[(1-methoxy-3-methyl-1-oxopentan-2-yl)sulfamoyl]propanoic acid
CID 43716066
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid (CID 43578597) is 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid is CC(C)CCC(C)NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid?
The InChIKey is MPYVWZILMRYXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-8(2)4-5-9(3)11-16(14,15)7-6-10(12)13/h8-9,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid?
3-(5-methylhexan-2-ylsulfamoyl)propanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexan-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 43578597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).