5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid

C8H18N2O4S — CID 114958931

IUPAC5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNS(N)(=O)=O)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)3-7(4-8(11)12)5-10-15(9,13)14/h6-7,10H,3-5H2,1-2H3,(H,11,12)(H2,9,13,14)
InChIKeyXIUHANFVIZXDOK-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.08
Rot. Bonds7

About 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid

5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid (PubChem CID 114958931) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid
PubChem CID114958931
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid
SMILESCC(C)CC(CNS(N)(=O)=O)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)3-7(4-8(11)12)5-10-15(9,13)14/h6-7,10H,3-5H2,1-2H3,(H,11,12)(H2,9,13,14)
InChIKeyXIUHANFVIZXDOK-UHFFFAOYSA-N
XLogP-0.08
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(methoxycarbonylsulfamoylamino)methyl]-5-methylhexanoic acid
CID 114462794
(3S)-5-methyl-3-[(2-methylsulfonylpropanoylamino)methyl]hexanoic acid
CID 104517686
5-methyl-3-[(2-methylpropanoylamino)methyl]hexanoic acid
CID 65492879
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
(3S)-3-[[(2-amino-4-methylsulfonylbutanoyl)amino]methyl]-5-methylhexanoic acid
CID 65494336
3-methoxy-4-(sulfamoylamino)butanoic acid
CID 103153567
(3S)-3-[(3-aminopropanoylamino)methyl]-5-methylhexanoic acid
CID 65493919
5-methyl-3-[(2-methylbutanoylamino)methyl]hexanoic acid
CID 65495173
potassium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 172995124
sodium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 173084628
5-methyl-3-[(prop-2-enoylamino)methyl]hexanoic acid
CID 65494145

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid (CID 114958931) is 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid is CC(C)CC(CNS(N)(=O)=O)CC(=O)O.
What is the InChIKey of 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid?
The InChIKey is XIUHANFVIZXDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(2)3-7(4-8(11)12)5-10-15(9,13)14/h6-7,10H,3-5H2,1-2H3,(H,11,12)(H2,9,13,14).
What are the key properties of 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid?
5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid is sourced from PubChem (CID 114958931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).