5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide

C12H24N2O2S — CID 71040282

IUPAC5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide
SMILESCC(C)(C)S(=O)NCCCCC(=O)NC1CC1
InChIInChI=1S/C12H24N2O2S/c1-12(2,3)17(16)13-9-5-4-6-11(15)14-10-7-8-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyYQQHLMUGYBABJP-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.49
Rot. Bonds7

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

5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide (PubChem CID 71040282) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide
PubChem CID71040282
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide
SMILESCC(C)(C)S(=O)NCCCCC(=O)NC1CC1
InChIInChI=1S/C12H24N2O2S/c1-12(2,3)17(16)13-9-5-4-6-11(15)14-10-7-8-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyYQQHLMUGYBABJP-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(tert-butylsulfonylamino)-N-cyclohexylpentanamide
CID 20630939
N-cyclopropyl-5-(propan-2-ylsulfonylamino)pentanamide
CID 20630945
5-(tert-butylsulfonylamino)-N-cyclopropylpentanamide
CID 20630946
6-[5-(Propan-2-ylsulfinylamino)pentanoylamino]heptanamide
CID 89153916
N-propyl-1-sulfinamoylcyclopropane-1-carboxamide
CID 118481129
1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide
CID 123929648
N-cyclopropyl-2-(disulfanyl)-2-methyl-5-(propanoylamino)pentanamide
CID 134575981
(2S)-1-tert-butylsulfinyl-N-propylpyrrolidine-2-carboxamide
CID 141270337
2-methyl-N-(2-oxopiperidin-4-yl)propane-2-sulfonamide
CID 167069682
2-methyl-N-(3-sulfamoylpropyl)cyclopropane-1-carboxamide
CID 47337109
4-amino-N-(3-sulfamoylpropyl)pentanamide
CID 64090904
4-amino-N-[2-(methylsulfamoyl)ethyl]pentanamide
CID 106336956

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide?
The IUPAC name of 5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide (CID 71040282) is 5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide.
What is the SMILES notation for 5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide?
The canonical SMILES for 5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide is CC(C)(C)S(=O)NCCCCC(=O)NC1CC1.
What is the InChIKey of 5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide?
The InChIKey is YQQHLMUGYBABJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(2,3)17(16)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-butylsulfinylamino)-N-cyclopropylpentanamide?
5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide has a molecular weight of 260.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfinylamino)-N-cyclopropylpentanamide is sourced from PubChem (CID 71040282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).