2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine

C11H27N3O2S — CID 62007860

IUPAC2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H27N3O2S/c1-7-11(8-2,9-12)14(6)17(15,16)13(5)10(3)4/h10H,7-9,12H2,1-6H3
InChIKeyUPDQLLCCJMIDCX-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.02
Rot. Bonds7

About 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine

2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine (PubChem CID 62007860) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine
PubChem CID62007860
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC Name2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C11H27N3O2S/c1-7-11(8-2,9-12)14(6)17(15,16)13(5)10(3)4/h10H,7-9,12H2,1-6H3
InChIKeyUPDQLLCCJMIDCX-UHFFFAOYSA-N
XLogP1.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine (CID 62007860) is 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine is CCC(CC)(CN)N(C)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine?
The InChIKey is UPDQLLCCJMIDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-7-11(8-2,9-12)14(6)17(15,16)13(5)10(3)4/h10H,7-9,12H2,1-6H3.
What are the key properties of 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine?
2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine has a molecular weight of 265.42 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-methyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine is sourced from PubChem (CID 62007860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).