6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid

C14H30N2O4S — CID 65285119

IUPAC6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C14H30N2O4S/c1-5-11-16(12-6-2)21(19,20)15-10-9-14(3,4)8-7-13(17)18/h15H,5-12H2,1-4H3,(H,17,18)
InChIKeyBVJNHBPAXUFWIE-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.22
Rot. Bonds12

About 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid

6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid (PubChem CID 65285119) has the molecular formula C14H30N2O4S and a molecular weight of 322.47 g/mol. Its IUPAC name is 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid
PubChem CID65285119
Molecular FormulaC14H30N2O4S
Molecular Weight322.47 g/mol
Exact Mass322.19
IUPAC Name6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C14H30N2O4S/c1-5-11-16(12-6-2)21(19,20)15-10-9-14(3,4)8-7-13(17)18/h15H,5-12H2,1-4H3,(H,17,18)
InChIKeyBVJNHBPAXUFWIE-UHFFFAOYSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethylsulfonylamino)-4,4-dimethylhexanoic acid
CID 65284819
2-[2-(dipropylsulfamoylamino)ethoxy]acetic acid
CID 79457740
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
CID 65284771
6-(decylamino)-4,4-dimethylhexanoic acid
CID 65289065
4,4-dimethyl-6-(nonylamino)hexanoic acid
CID 65287173
6-[(4-fluorophenyl)sulfonylamino]-4,4-dimethylhexanoic acid
CID 65285413
3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
CID 114805730
6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289831
4,4-dimethyl-6-[(2-methyl-2-methylsulfonylpropanoyl)amino]hexanoic acid
CID 65284262
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid?
The IUPAC name of 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid (CID 65285119) is 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid is CCCN(CCC)S(=O)(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid?
The InChIKey is BVJNHBPAXUFWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4S/c1-5-11-16(12-6-2)21(19,20)15-10-9-14(3,4)8-7-13(17)18/h15H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid?
6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid has a molecular weight of 322.47 g/mol, XLogP of 2.22, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylsulfamoylamino)-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65285119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).