2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid

C12H26N2O4S — CID 65220845

IUPAC2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-7-14(8-6-2)19(17,18)13-9-11(10(3)4)12(15)16/h10-11,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyWPZNWWDKTZSWCO-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.30
Rot. Bonds10

About 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid

2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid (PubChem CID 65220845) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid
PubChem CID65220845
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-7-14(8-6-2)19(17,18)13-9-11(10(3)4)12(15)16/h10-11,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyWPZNWWDKTZSWCO-UHFFFAOYSA-N
XLogP1.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
3-[[2-Methylpropyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 87891321
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
3-(Dipropylsulfamoylamino)propanoic acid
CID 43169479
3-(Diethylsulfamoylamino)butanoic acid
CID 43172102
2-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 43172820
3-[(3,5-Dimethylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43172961
3-[[Butyl(methyl)sulfamoyl]amino]propanoic acid
CID 43351241
3-[(3-Methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43359117
3-[(4-Methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43359119
4-(Dipropylsulfamoylamino)butanoic acid
CID 43361170
2-(Dipropylsulfamoylamino)-3-methylbutanoic acid
CID 43361276

Frequently Asked Questions

What is the IUPAC name of 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid (CID 65220845) is 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid is CCCN(CCC)S(=O)(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid?
The InChIKey is WPZNWWDKTZSWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-7-14(8-6-2)19(17,18)13-9-11(10(3)4)12(15)16/h10-11,13H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid?
2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid has a molecular weight of 294.42 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipropylsulfamoylamino)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65220845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).