4-methyl-N-(methylsulfamoyl)pentan-1-amine

C7H18N2O2S — CID 166565565

IUPAC4-methyl-N-(methylsulfamoyl)pentan-1-amine
SMILESCNS(=O)(=O)NCCCC(C)C
InChIInChI=1S/C7H18N2O2S/c1-7(2)5-4-6-9-12(10,11)8-3/h7-9H,4-6H2,1-3H3
InChIKeyAARNFZSJRYQRJS-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.48
Rot. Bonds6

About 4-methyl-N-(methylsulfamoyl)pentan-1-amine

4-methyl-N-(methylsulfamoyl)pentan-1-amine (PubChem CID 166565565) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-methyl-N-(methylsulfamoyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(methylsulfamoyl)pentan-1-amine
PubChem CID166565565
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name4-methyl-N-(methylsulfamoyl)pentan-1-amine
SMILESCNS(=O)(=O)NCCCC(C)C
InChIInChI=1S/C7H18N2O2S/c1-7(2)5-4-6-9-12(10,11)8-3/h7-9H,4-6H2,1-3H3
InChIKeyAARNFZSJRYQRJS-UHFFFAOYSA-N
XLogP0.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.48
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 4-methyl-N-(methylsulfamoyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(methylsulfamoyl)pentan-1-amine (CID 166565565) is 4-methyl-N-(methylsulfamoyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(methylsulfamoyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(methylsulfamoyl)pentan-1-amine is CNS(=O)(=O)NCCCC(C)C.
What is the InChIKey of 4-methyl-N-(methylsulfamoyl)pentan-1-amine?
The InChIKey is AARNFZSJRYQRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2)5-4-6-9-12(10,11)8-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-methyl-N-(methylsulfamoyl)pentan-1-amine?
4-methyl-N-(methylsulfamoyl)pentan-1-amine has a molecular weight of 194.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(methylsulfamoyl)pentan-1-amine is sourced from PubChem (CID 166565565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).