2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane

C11H27N3O2S — CID 43606428

IUPAC2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane
SMILESCCCCN(C)S(=O)(=O)NCC(N)CC(C)C
InChIInChI=1S/C11H27N3O2S/c1-5-6-7-14(4)17(15,16)13-9-11(12)8-10(2)3/h10-11,13H,5-9,12H2,1-4H3
InChIKeyVFBBWLYWQCNVEF-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.93
Rot. Bonds9

About 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane

2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane (PubChem CID 43606428) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane.

Molecular Properties

Compound Name2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane
PubChem CID43606428
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC Name2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane
SMILESCCCCN(C)S(=O)(=O)NCC(N)CC(C)C
InChIInChI=1S/C11H27N3O2S/c1-5-6-7-14(4)17(15,16)13-9-11(12)8-10(2)3/h10-11,13H,5-9,12H2,1-4H3
InChIKeyVFBBWLYWQCNVEF-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane?
The IUPAC name of 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane (CID 43606428) is 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane.
What is the SMILES notation for 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane?
The canonical SMILES for 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane is CCCCN(C)S(=O)(=O)NCC(N)CC(C)C.
What is the InChIKey of 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane?
The InChIKey is VFBBWLYWQCNVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-5-6-7-14(4)17(15,16)13-9-11(12)8-10(2)3/h10-11,13H,5-9,12H2,1-4H3.
What are the key properties of 2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane?
2-amino-1-[[butyl(methyl)sulfamoyl]amino]-4-methylpentane has a molecular weight of 265.42 g/mol, XLogP of 0.93, 9 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]-4-methylpentane is sourced from PubChem (CID 43606428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).