4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid

C12H26N2O4S — CID 114806279

IUPAC4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid
SMILESCCCC(CCNS(=O)(=O)NC(C)C)CCC(=O)O
InChIInChI=1S/C12H26N2O4S/c1-4-5-11(6-7-12(15)16)8-9-13-19(17,18)14-10(2)3/h10-11,13-14H,4-9H2,1-3H3,(H,15,16)
InChIKeyHWHINTCCWRDPSS-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.49
Rot. Bonds11

About 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid

4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid (PubChem CID 114806279) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid
PubChem CID114806279
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid
SMILESCCCC(CCNS(=O)(=O)NC(C)C)CCC(=O)O
InChIInChI=1S/C12H26N2O4S/c1-4-5-11(6-7-12(15)16)8-9-13-19(17,18)14-10(2)3/h10-11,13-14H,4-9H2,1-3H3,(H,15,16)
InChIKeyHWHINTCCWRDPSS-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid
CID 114814632
4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
CID 64686457
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
4-[2-(but-2-ynoylamino)ethyl]heptanoic acid
CID 107986729
4-[2-[2-(aminomethyl)pentanoylamino]ethyl]heptanoic acid
CID 65228716
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
CID 64894801
4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
CID 65459094
4-[2-[2-(carbamoylamino)ethylcarbamoylamino]ethyl]heptanoic acid
CID 83113037
4-[2-(2,2-difluoroethylcarbamoylamino)ethyl]heptanoic acid
CID 113303947
4-[2-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]heptanoic acid
CID 77033094
N-(2-methylsulfonylethylsulfamoyl)propan-2-amine
CID 110612472
4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid
CID 64604491

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid?
The IUPAC name of 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid (CID 114806279) is 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid?
The canonical SMILES for 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid is CCCC(CCNS(=O)(=O)NC(C)C)CCC(=O)O.
What is the InChIKey of 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid?
The InChIKey is HWHINTCCWRDPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-4-5-11(6-7-12(15)16)8-9-13-19(17,18)14-10(2)3/h10-11,13-14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid?
4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid has a molecular weight of 294.42 g/mol, XLogP of 1.49, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propan-2-ylsulfamoylamino)ethyl]heptanoic acid is sourced from PubChem (CID 114806279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).