N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine

C12H28N2O2S — CID 102912912

IUPACN-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNS(=O)(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H28N2O2S/c1-9(2)11(10(3)4)8-13-17(15,16)14-12(5,6)7/h9-11,13-14H,8H2,1-7H3
InChIKeyMMMWYDXZBRHCMJ-UHFFFAOYSA-N
MW264.43 g/mol
LogP2.14
Rot. Bonds6

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

N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102912912) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102912912
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNS(=O)(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H28N2O2S/c1-9(2)11(10(3)4)8-13-17(15,16)14-12(5,6)7/h9-11,13-14H,8H2,1-7H3
InChIKeyMMMWYDXZBRHCMJ-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102912912) is N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNS(=O)(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is MMMWYDXZBRHCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-9(2)11(10(3)4)8-13-17(15,16)14-12(5,6)7/h9-11,13-14H,8H2,1-7H3.
What are the key properties of N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 264.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102912912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).