3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid

C10H22N2O4S — CID 64671371

IUPAC3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-6-7-12(4)17(15,16)11-10(2,3)8-9(13)14/h11H,5-8H2,1-4H3,(H,13,14)
InChIKeyXFWHCKQQGANQBV-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.81
Rot. Bonds8

About 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid

3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid (PubChem CID 64671371) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
PubChem CID64671371
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
SMILESCCCCN(C)S(=O)(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-6-7-12(4)17(15,16)11-10(2,3)8-9(13)14/h11H,5-8H2,1-4H3,(H,13,14)
InChIKeyXFWHCKQQGANQBV-UHFFFAOYSA-N
XLogP0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 43172820
3-[[Butyl(methyl)sulfamoyl]amino]propanoic acid
CID 43351241
3-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361693
3-(Dipropylsulfamoylamino)butanoic acid
CID 43361697
2-[[Butyl(methyl)sulfamoyl]amino]-2-methylpentanoic acid
CID 43619242
3-[Tert-butyl-[butyl(methyl)sulfamoyl]amino]propanoic acid
CID 60827517
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 61137028
2-[[Butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
CID 61263581
3-[[Methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455844
4-[[Butyl(methyl)sulfamoyl]amino]-4-methylpentanoic acid
CID 62043974
3-[[Butyl(methyl)sulfamoyl]amino]-2-methylpropanoic acid
CID 62674301
3-Methyl-3-(piperidin-1-ylsulfonylamino)butanoic acid
CID 64670988

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid (CID 64671371) is 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid is CCCCN(C)S(=O)(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
The InChIKey is XFWHCKQQGANQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-6-7-12(4)17(15,16)11-10(2,3)8-9(13)14/h11H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid?
3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 64671371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).