2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine

C9H21N3O2S — CID 114811116

IUPAC2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine
SMILESCNS(=O)(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C9H21N3O2S/c1-8(2)6(10)9(3,4)7(8)12-15(13,14)11-5/h6-7,11-12H,10H2,1-5H3
InChIKeyYUIKGZUAQBUTAY-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.20
Rot. Bonds3

About 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine

2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine (PubChem CID 114811116) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine
PubChem CID114811116
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine
SMILESCNS(=O)(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C9H21N3O2S/c1-8(2)6(10)9(3,4)7(8)12-15(13,14)11-5/h6-7,11-12H,10H2,1-5H3
InChIKeyYUIKGZUAQBUTAY-UHFFFAOYSA-N
XLogP-0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine?
The IUPAC name of 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine (CID 114811116) is 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine?
The canonical SMILES for 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine is CNS(=O)(=O)NC1C(C)(C)C(N)C1(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine?
The InChIKey is YUIKGZUAQBUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8(2)6(10)9(3,4)7(8)12-15(13,14)11-5/h6-7,11-12H,10H2,1-5H3.
What are the key properties of 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine?
2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine has a molecular weight of 235.35 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-N-(methylsulfamoyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 114811116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).