N-(butylsulfamoyl)cyclopropanamine

C7H16N2O2S — CID 83381244

IUPACN-(butylsulfamoyl)cyclopropanamine
SMILESCCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H16N2O2S/c1-2-3-6-8-12(10,11)9-7-4-5-7/h7-9H,2-6H2,1H3
InChIKeyQLZINBHAPYCYLQ-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.37
Rot. Bonds6

About N-(butylsulfamoyl)cyclopropanamine

N-(butylsulfamoyl)cyclopropanamine (PubChem CID 83381244) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-(butylsulfamoyl)cyclopropanamine.

Molecular Properties

Compound NameN-(butylsulfamoyl)cyclopropanamine
PubChem CID83381244
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-(butylsulfamoyl)cyclopropanamine
SMILESCCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H16N2O2S/c1-2-3-6-8-12(10,11)9-7-4-5-7/h7-9H,2-6H2,1H3
InChIKeyQLZINBHAPYCYLQ-UHFFFAOYSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(butylsulfamoyl)cyclopropanamine?
The IUPAC name of N-(butylsulfamoyl)cyclopropanamine (CID 83381244) is N-(butylsulfamoyl)cyclopropanamine.
What is the SMILES notation for N-(butylsulfamoyl)cyclopropanamine?
The canonical SMILES for N-(butylsulfamoyl)cyclopropanamine is CCCCNS(=O)(=O)NC1CC1.
What is the InChIKey of N-(butylsulfamoyl)cyclopropanamine?
The InChIKey is QLZINBHAPYCYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-3-6-8-12(10,11)9-7-4-5-7/h7-9H,2-6H2,1H3.
What are the key properties of N-(butylsulfamoyl)cyclopropanamine?
N-(butylsulfamoyl)cyclopropanamine has a molecular weight of 192.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylsulfamoyl)cyclopropanamine is sourced from PubChem (CID 83381244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).