5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide

C15H30N2O3S — CID 20630939

IUPAC5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H30N2O3S/c1-15(2,3)21(19,20)16-12-8-7-11-14(18)17-13-9-5-4-6-10-13/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyWWFMTMMUXBVOFI-UHFFFAOYSA-N
MW318.48 g/mol
LogP2.32
Rot. Bonds7

About 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide

5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide (PubChem CID 20630939) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide
PubChem CID20630939
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NC1CCCCC1
InChIInChI=1S/C15H30N2O3S/c1-15(2,3)21(19,20)16-12-8-7-11-14(18)17-13-9-5-4-6-10-13/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyWWFMTMMUXBVOFI-UHFFFAOYSA-N
XLogP2.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide (CID 20630939) is 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide is CC(C)(C)S(=O)(=O)NCCCCC(=O)NC1CCCCC1.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide?
The InChIKey is WWFMTMMUXBVOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-15(2,3)21(19,20)16-12-8-7-11-14(18)17-13-9-5-4-6-10-13/h13,16H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide?
5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide has a molecular weight of 318.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide is sourced from PubChem (CID 20630939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).