3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine

C8H20N2O2S — CID 22966184

IUPAC3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
SMILESCC(C)CCNS(=O)(=O)NC(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)5-6-9-13(11,12)10-8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyWJYDQKSHWSGZGN-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.86
Rot. Bonds6

About 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine

3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine (PubChem CID 22966184) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
PubChem CID22966184
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
SMILESCC(C)CCNS(=O)(=O)NC(C)C
InChIInChI=1S/C8H20N2O2S/c1-7(2)5-6-9-13(11,12)10-8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyWJYDQKSHWSGZGN-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Bis(2-methylpropyl)sulfamide
CID 100954722
3-methyl-N-(3-methylbutylsulfamoyl)butan-1-amine
CID 102243142
1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
CID 140915623
2-methyl-N-(propan-2-ylsulfamoyl)butan-2-amine
CID 131863190
N-(butan-2-ylsulfamoyl)butan-2-amine
CID 134897087
Bis(3-methylbutylazanium);sulfate
CID 20836350
3-Methyl-1-(sulfamoylamino)butane
CID 21345371
2-methyl-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 22966183
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
2-methyl-N-(propan-2-ylsulfamoyl)propan-2-amine
CID 57741188
(2R)-2-(dimethylsulfamoylamino)-3-methylbutane
CID 58679586
(2R)-2-(dimethylsulfamoylamino)-4-methylpentane
CID 58923230

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine (CID 22966184) is 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine is CC(C)CCNS(=O)(=O)NC(C)C.
What is the InChIKey of 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine?
The InChIKey is WJYDQKSHWSGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-7(2)5-6-9-13(11,12)10-8(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine?
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine has a molecular weight of 208.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine is sourced from PubChem (CID 22966184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).