5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid

C11H24N2O4S — CID 114807123

IUPAC5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid
SMILESCC(C)NS(=O)(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C11H24N2O4S/c1-8(2)12-18(16,17)13-9(6-10(14)15)7-11(3,4)5/h8-9,12-13H,6-7H2,1-5H3,(H,14,15)
InChIKeyWLDOLBLCTCIDPA-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.10
Rot. Bonds7

About 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid

5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid (PubChem CID 114807123) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid
PubChem CID114807123
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid
SMILESCC(C)NS(=O)(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C11H24N2O4S/c1-8(2)12-18(16,17)13-9(6-10(14)15)7-11(3,4)5/h8-9,12-13H,6-7H2,1-5H3,(H,14,15)
InChIKeyWLDOLBLCTCIDPA-UHFFFAOYSA-N
XLogP1.10
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid
CID 114806347
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-5,5-dimethylhexanoic acid
CID 104867277
3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid
CID 103019288
3,5,5-trimethylhexanoic acid;zirconium
CID 174506676
manganese;3,5,5-trimethylhexanoic acid
CID 170844741
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
3-[[(2R)-2-aminopentanoyl]amino]-5,5-dimethylhexanoic acid
CID 107570673
3-[2-(azetidin-3-yl)propanoylamino]-5,5-dimethylhexanoic acid
CID 116679069
2,2-dimethyl-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 57355566
3-[[(2S)-2-aminohexanoyl]amino]-5,5-dimethylhexanoic acid
CID 107146590
5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid
CID 113496880
3-amino-4,6,6-trimethylheptanoic acid
CID 83907086

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid?
The IUPAC name of 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid (CID 114807123) is 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid?
The canonical SMILES for 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid is CC(C)NS(=O)(=O)NC(CC(=O)O)CC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid?
The InChIKey is WLDOLBLCTCIDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-8(2)12-18(16,17)13-9(6-10(14)15)7-11(3,4)5/h8-9,12-13H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid?
5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid is sourced from PubChem (CID 114807123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).