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

C10H22N2O4S — CID 54979307

IUPACmethyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-9(2)12(4)17(14,15)11(3)8-6-7-10(13)16-5/h9H,6-8H2,1-5H3
InChIKeyNVOBJQROXCXKCC-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.46
Rot. Bonds7

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

methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate (PubChem CID 54979307) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate
PubChem CID54979307
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-9(2)12(4)17(14,15)11(3)8-6-7-10(13)16-5/h9H,6-8H2,1-5H3
InChIKeyNVOBJQROXCXKCC-UHFFFAOYSA-N
XLogP0.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[Butyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361577
Methyl 4-[diethylsulfamoyl(methyl)amino]butanoate
CID 54940539
Methyl 4-[dipropylsulfamoyl(methyl)amino]butanoate
CID 54942529
Methyl 4-[[butyl(methyl)sulfamoyl]-methylamino]butanoate
CID 54942530
Methyl 4-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942768
Methyl 4-[methyl(pyrrolidin-1-ylsulfonyl)amino]butanoate
CID 54943299
4-[[Methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]butanoic acid
CID 54947353
Methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate
CID 55028428
Methyl 4-[methyl(sulfamoyl)amino]butanoate
CID 60729454
Methyl 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoate
CID 60732398
4-[Diethylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 60827636
4-[Dimethylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 60827956

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate?
The IUPAC name of methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate (CID 54979307) is methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate?
The canonical SMILES for methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate?
The InChIKey is NVOBJQROXCXKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-9(2)12(4)17(14,15)11(3)8-6-7-10(13)16-5/h9H,6-8H2,1-5H3.
What are the key properties of methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate?
methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate has a molecular weight of 266.36 g/mol, XLogP of 0.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]butanoate is sourced from PubChem (CID 54979307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).