1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane

C9H21ClN2O2S — CID 65032465

IUPAC1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
SMILESCCC(C)(CCl)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H21ClN2O2S/c1-6-9(4,7-10)11-15(13,14)12(5)8(2)3/h8,11H,6-7H2,1-5H3
InChIKeyPRHYGJXLEJIEJB-UHFFFAOYSA-N
MW256.80 g/mol
LogP1.57
Rot. Bonds6

About 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane

1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane (PubChem CID 65032465) has the molecular formula C9H21ClN2O2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane.

Molecular Properties

Compound Name1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
PubChem CID65032465
Molecular FormulaC9H21ClN2O2S
Molecular Weight256.80 g/mol
Exact Mass256.10
IUPAC Name1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
SMILESCCC(C)(CCl)NS(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H21ClN2O2S/c1-6-9(4,7-10)11-15(13,14)12(5)8(2)3/h8,11H,6-7H2,1-5H3
InChIKeyPRHYGJXLEJIEJB-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane?
The IUPAC name of 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane (CID 65032465) is 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane.
What is the SMILES notation for 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane?
The canonical SMILES for 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane is CCC(C)(CCl)NS(=O)(=O)N(C)C(C)C.
What is the InChIKey of 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane?
The InChIKey is PRHYGJXLEJIEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClN2O2S/c1-6-9(4,7-10)11-15(13,14)12(5)8(2)3/h8,11H,6-7H2,1-5H3.
What are the key properties of 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane?
1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane has a molecular weight of 256.80 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane is sourced from PubChem (CID 65032465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).