3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine

C12H28N2O2S — CID 102912869

IUPAC3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)CNS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C12H28N2O2S/c1-9(2)7-13-17(15,16)14-8-12(10(3)4)11(5)6/h9-14H,7-8H2,1-6H3
InChIKeyAPCDSRJMJALSND-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.99
Rot. Bonds8

About 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine

3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine (PubChem CID 102912869) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine
PubChem CID102912869
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC Name3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)CNS(=O)(=O)NCC(C(C)C)C(C)C
InChIInChI=1S/C12H28N2O2S/c1-9(2)7-13-17(15,16)14-8-12(10(3)4)11(5)6/h9-14H,7-8H2,1-6H3
InChIKeyAPCDSRJMJALSND-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine (CID 102912869) is 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine is CC(C)CNS(=O)(=O)NCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine?
The InChIKey is APCDSRJMJALSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-9(2)7-13-17(15,16)14-8-12(10(3)4)11(5)6/h9-14H,7-8H2,1-6H3.
What are the key properties of 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine?
3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine has a molecular weight of 264.43 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropylsulfamoyl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102912869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).