5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide

C12H24N2O3S — CID 20630946

IUPAC5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NC1CC1
InChIInChI=1S/C12H24N2O3S/c1-12(2,3)18(16,17)13-9-5-4-6-11(15)14-10-7-8-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyIWMLPPXLQXBNGB-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.15
Rot. Bonds7

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

5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide (PubChem CID 20630946) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide
PubChem CID20630946
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NC1CC1
InChIInChI=1S/C12H24N2O3S/c1-12(2,3)18(16,17)13-9-5-4-6-11(15)14-10-7-8-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyIWMLPPXLQXBNGB-UHFFFAOYSA-N
XLogP1.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.15
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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Related Compounds

N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide
CID 71941517
N-cyclopropyl-1-(ethylsulfonyl)piperidine-3-carboxamide
CID 3497697
(3S)-N-cyclopropyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 40475020
N-cyclopropyl-1-propylsulfonylpiperidine-3-carboxamide
CID 4532778
N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide
CID 20630938
5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide
CID 20630939
N-cyclopropyl-5-(propan-2-ylsulfonylamino)pentanamide
CID 20630945
N-Propyl-1-sulfamoylcyclopropane-1-carboxamide
CID 22499348
N-(3-sulfamoylpropyl)pentanamide
CID 23563440
N-ethyl-1-sulfamoylcyclopropane-1-carboxamide
CID 58132241
5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide
CID 71040282
N-[2-(dimethylsulfamoyl)ethyl]cyclopropanecarboxamide
CID 106342913

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide (CID 20630946) is 5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide is CC(C)(C)S(=O)(=O)NCCCCC(=O)NC1CC1.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide?
The InChIKey is IWMLPPXLQXBNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-12(2,3)18(16,17)13-9-5-4-6-11(15)14-10-7-8-10/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide?
5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide has a molecular weight of 276.40 g/mol, XLogP of 1.15, 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-cyclopropylpentanamide is sourced from PubChem (CID 20630946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).