N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide

C15H31NO2S — CID 70799428

IUPACN-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide
SMILESCC(C)(C)CCCCN(C(C)(C)C)S(=O)(=O)C1CC1
InChIInChI=1S/C15H31NO2S/c1-14(2,3)11-7-8-12-16(15(4,5)6)19(17,18)13-9-10-13/h13H,7-12H2,1-6H3
InChIKeyOQIZAWHDILWWBE-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.80
Rot. Bonds6

About N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide

N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide (PubChem CID 70799428) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide
PubChem CID70799428
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC NameN-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide
SMILESCC(C)(C)CCCCN(C(C)(C)C)S(=O)(=O)C1CC1
InChIInChI=1S/C15H31NO2S/c1-14(2,3)11-7-8-12-16(15(4,5)6)19(17,18)13-9-10-13/h13H,7-12H2,1-6H3
InChIKeyOQIZAWHDILWWBE-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
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-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide?
The IUPAC name of N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide (CID 70799428) is N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide?
The canonical SMILES for N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide is CC(C)(C)CCCCN(C(C)(C)C)S(=O)(=O)C1CC1.
What is the InChIKey of N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide?
The InChIKey is OQIZAWHDILWWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-14(2,3)11-7-8-12-16(15(4,5)6)19(17,18)13-9-10-13/h13H,7-12H2,1-6H3.
What are the key properties of N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide?
N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide has a molecular weight of 289.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(5,5-dimethylhexyl)cyclopropanesulfonamide is sourced from PubChem (CID 70799428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).