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

C9H20N2O4S — CID 61455731

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

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

4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (PubChem CID 61455731) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
PubChem CID61455731
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCC(C)N(C)S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C9H20N2O4S/c1-8(2)11(4)16(14,15)10(3)7-5-6-9(12)13/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyVHHJWNATRCBYHK-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
1-Hydroxy-4-[methyl(sulfinato)amino]-1-oxobutane
CID 134606557
4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
4-[Methyl(pyrrolidin-1-ylsulfonyl)amino]butanoic acid
CID 43151879
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882
4-[Methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43329697
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
4-(Dipropylsulfamoylamino)butanoic acid
CID 43361170
4-[[Butyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361577
4-[Dipropylsulfamoyl(methyl)amino]butanoic acid
CID 43361581
4-[Piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid
CID 54925782
3-[[Butyl(methyl)sulfamoyl]-propan-2-ylamino]propanoic acid
CID 54926020

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (CID 61455731) is 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is CC(C)N(C)S(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The InChIKey is VHHJWNATRCBYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-8(2)11(4)16(14,15)10(3)7-5-6-9(12)13/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
4-[methyl-[methyl(propan-2-yl)sulfamoyl]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-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 61455731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).