N-(tert-butylsulfamoyl)butan-1-amine

C8H20N2O2S — CID 127506138

IUPACN-(tert-butylsulfamoyl)butan-1-amine
SMILESCCCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H20N2O2S/c1-5-6-7-9-13(11,12)10-8(2,3)4/h9-10H,5-7H2,1-4H3
InChIKeyWZLBIEDMQQIJGR-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.01
Rot. Bonds5

About N-(tert-butylsulfamoyl)butan-1-amine

N-(tert-butylsulfamoyl)butan-1-amine (PubChem CID 127506138) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)butan-1-amine.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)butan-1-amine
PubChem CID127506138
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-(tert-butylsulfamoyl)butan-1-amine
SMILESCCCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H20N2O2S/c1-5-6-7-9-13(11,12)10-8(2,3)4/h9-10H,5-7H2,1-4H3
InChIKeyWZLBIEDMQQIJGR-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(tert-butylsulfamoyl)butan-1-amine 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 N-(tert-butylsulfamoyl)butan-1-amine?
The IUPAC name of N-(tert-butylsulfamoyl)butan-1-amine (CID 127506138) is N-(tert-butylsulfamoyl)butan-1-amine.
What is the SMILES notation for N-(tert-butylsulfamoyl)butan-1-amine?
The canonical SMILES for N-(tert-butylsulfamoyl)butan-1-amine is CCCCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylsulfamoyl)butan-1-amine?
The InChIKey is WZLBIEDMQQIJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-5-6-7-9-13(11,12)10-8(2,3)4/h9-10H,5-7H2,1-4H3.
What are the key properties of N-(tert-butylsulfamoyl)butan-1-amine?
N-(tert-butylsulfamoyl)butan-1-amine has a molecular weight of 208.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)butan-1-amine is sourced from PubChem (CID 127506138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).