2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane

C9H23N3O2S — CID 63730547

IUPAC2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
SMILESCCCCN(C)S(=O)(=O)NCC(N)CC
InChIInChI=1S/C9H23N3O2S/c1-4-6-7-12(3)15(13,14)11-8-9(10)5-2/h9,11H,4-8,10H2,1-3H3
InChIKeyXWMVCFXXZMOSAA-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.29
Rot. Bonds8

About 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane

2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane (PubChem CID 63730547) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane.

Molecular Properties

Compound Name2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
PubChem CID63730547
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
SMILESCCCCN(C)S(=O)(=O)NCC(N)CC
InChIInChI=1S/C9H23N3O2S/c1-4-6-7-12(3)15(13,14)11-8-9(10)5-2/h9,11H,4-8,10H2,1-3H3
InChIKeyXWMVCFXXZMOSAA-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane?
The IUPAC name of 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane (CID 63730547) is 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane.
What is the SMILES notation for 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane?
The canonical SMILES for 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane is CCCCN(C)S(=O)(=O)NCC(N)CC.
What is the InChIKey of 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane?
The InChIKey is XWMVCFXXZMOSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-4-6-7-12(3)15(13,14)11-8-9(10)5-2/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane?
2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane has a molecular weight of 237.37 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane is sourced from PubChem (CID 63730547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).