4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid

C9H20N2O4S — CID 60827956

IUPAC4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)N(C)C
InChIInChI=1S/C9H20N2O4S/c1-8(2)11(7-5-6-9(12)13)16(14,15)10(3)4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyBGGXSGIYVPKEOH-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.37
Rot. Bonds7

About 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid

4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid (PubChem CID 60827956) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid
PubChem CID60827956
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)N(C)C
InChIInChI=1S/C9H20N2O4S/c1-8(2)11(7-5-6-9(12)13)16(14,15)10(3)4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyBGGXSGIYVPKEOH-UHFFFAOYSA-N
XLogP0.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[Cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361576
4-(Isopropyl(methyl)amino)butanoic acid
CID 21027685
4-[Propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545
4-[Bis(methylethyl)amino]butanoic acid
CID 19900411
4-[Ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
4-[Methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid
CID 43151879
4-[Methyl(1-piperidinylsulfonyl)amino]butanoic acid
CID 43151881
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882
4-[Propan-2-yl(propyl)amino]butanoic acid
CID 43269773
4-[Butan-2-yl(methyl)amino]butanoic acid
CID 43273106

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid (CID 60827956) is 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)S(=O)(=O)N(C)C.
What is the InChIKey of 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid?
The InChIKey is BGGXSGIYVPKEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-8(2)11(7-5-6-9(12)13)16(14,15)10(3)4/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid?
4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 60827956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).