4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine

C8H20N2O2S — CID 110611315

IUPAC4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
SMILESCNS(=O)(=O)NCCCC(C)(C)C
InChIInChI=1S/C8H20N2O2S/c1-8(2,3)6-5-7-10-13(11,12)9-4/h9-10H,5-7H2,1-4H3
InChIKeyNJRSQLNYZCTMFM-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.87
Rot. Bonds5

About 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine

4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine (PubChem CID 110611315) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
PubChem CID110611315
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
SMILESCNS(=O)(=O)NCCCC(C)(C)C
InChIInChI=1S/C8H20N2O2S/c1-8(2,3)6-5-7-10-13(11,12)9-4/h9-10H,5-7H2,1-4H3
InChIKeyNJRSQLNYZCTMFM-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
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 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine (CID 110611315) is 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine is CNS(=O)(=O)NCCCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine?
The InChIKey is NJRSQLNYZCTMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-8(2,3)6-5-7-10-13(11,12)9-4/h9-10H,5-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine?
4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine has a molecular weight of 208.33 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine is sourced from PubChem (CID 110611315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).