1-[ethyl(methylsulfamoyl)amino]-3-methylbutane

C8H20N2O2S — CID 123881063

IUPAC1-[ethyl(methylsulfamoyl)amino]-3-methylbutane
SMILESCCN(CCC(C)C)S(=O)(=O)NC
InChIInChI=1S/C8H20N2O2S/c1-5-10(7-6-8(2)3)13(11,12)9-4/h8-9H,5-7H2,1-4H3
InChIKeyNIJNAXOWCYRJSQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.82
Rot. Bonds6

About 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane

1-[ethyl(methylsulfamoyl)amino]-3-methylbutane (PubChem CID 123881063) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane.

Molecular Properties

Compound Name1-[ethyl(methylsulfamoyl)amino]-3-methylbutane
PubChem CID123881063
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name1-[ethyl(methylsulfamoyl)amino]-3-methylbutane
SMILESCCN(CCC(C)C)S(=O)(=O)NC
InChIInChI=1S/C8H20N2O2S/c1-5-10(7-6-8(2)3)13(11,12)9-4/h8-9H,5-7H2,1-4H3
InChIKeyNIJNAXOWCYRJSQ-UHFFFAOYSA-N
XLogP0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane?
The IUPAC name of 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane (CID 123881063) is 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane.
What is the SMILES notation for 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane?
The canonical SMILES for 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane is CCN(CCC(C)C)S(=O)(=O)NC.
What is the InChIKey of 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane?
The InChIKey is NIJNAXOWCYRJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-5-10(7-6-8(2)3)13(11,12)9-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane?
1-[ethyl(methylsulfamoyl)amino]-3-methylbutane has a molecular weight of 208.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methylsulfamoyl)amino]-3-methylbutane is sourced from PubChem (CID 123881063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).