4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid

C12H26N2O4S — CID 114814632

IUPAC4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid
SMILESCCC(CCNS(=O)(=O)NCC(C)C)CCC(=O)O
InChIInChI=1S/C12H26N2O4S/c1-4-11(5-6-12(15)16)7-8-13-19(17,18)14-9-10(2)3/h10-11,13-14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMTHGSDCSFYNYOX-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.35
Rot. Bonds11

About 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid

4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid (PubChem CID 114814632) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid.

Molecular Properties

Compound Name4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid
PubChem CID114814632
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid
SMILESCCC(CCNS(=O)(=O)NCC(C)C)CCC(=O)O
InChIInChI=1S/C12H26N2O4S/c1-4-11(5-6-12(15)16)7-8-13-19(17,18)14-9-10(2)3/h10-11,13-14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMTHGSDCSFYNYOX-UHFFFAOYSA-N
XLogP1.35
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid
CID 114806279
3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815587
2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 114812909
2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376
6-[(5-cyanothiophen-2-yl)sulfonylamino]-4-ethylhexanoic acid
CID 106265633
6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-ethylhexanoic acid
CID 106314106
3-ethyl-1-(2-methylpropylsulfamoylamino)pentan-2-ol
CID 106288332
3-ethylhexanedioic acid
CID 18477236
(4R)-4-(hydroxymethyl)hexanoic acid
CID 131845263
5-methyl-4-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]hexanoic acid
CID 114806283
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
CID 104978587

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid?
The IUPAC name of 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid (CID 114814632) is 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid.
What is the SMILES notation for 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid?
The canonical SMILES for 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid is CCC(CCNS(=O)(=O)NCC(C)C)CCC(=O)O.
What is the InChIKey of 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid?
The InChIKey is MTHGSDCSFYNYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-4-11(5-6-12(15)16)7-8-13-19(17,18)14-9-10(2)3/h10-11,13-14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid?
4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid has a molecular weight of 294.42 g/mol, XLogP of 1.35, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid is sourced from PubChem (CID 114814632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).