N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine

C12H28N2O2S — CID 146353092

IUPACN-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-11(2,3)9-7-8-10-13-17(15,16)14-12(4,5)6/h13-14H,7-10H2,1-6H3
InChIKeyINNYZDVBLPGHLC-UHFFFAOYSA-N
MW264.43 g/mol
LogP2.43
Rot. Bonds6

About N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine

N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine (PubChem CID 146353092) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine
PubChem CID146353092
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-11(2,3)9-7-8-10-13-17(15,16)14-12(4,5)6/h13-14H,7-10H2,1-6H3
InChIKeyINNYZDVBLPGHLC-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 52.43
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-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine?
The IUPAC name of N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine (CID 146353092) is N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine.
What is the SMILES notation for N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine?
The canonical SMILES for N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine is CC(C)(C)CCCCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine?
The InChIKey is INNYZDVBLPGHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-11(2,3)9-7-8-10-13-17(15,16)14-12(4,5)6/h13-14H,7-10H2,1-6H3.
What are the key properties of N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine?
N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine has a molecular weight of 264.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 146353092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).