5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide

C19H36N2O2S — CID 70974482

IUPAC5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide
SMILESCCCC1=CCC(NC(=O)CCCCNS(=O)C(C)(C)C)CC1C
InChIInChI=1S/C19H36N2O2S/c1-6-9-16-11-12-17(14-15(16)2)21-18(22)10-7-8-13-20-24(23)19(3,4)5/h11,15,17,20H,6-10,12-14H2,1-5H3,(H,21,22)
InChIKeyKQLFHEBINFGOSH-UHFFFAOYSA-N
MW356.58 g/mol
LogP3.85
Rot. Bonds9

About 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide

5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide (PubChem CID 70974482) has the molecular formula C19H36N2O2S and a molecular weight of 356.58 g/mol. Its IUPAC name is 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide
PubChem CID70974482
Molecular FormulaC19H36N2O2S
Molecular Weight356.58 g/mol
Exact Mass356.25
IUPAC Name5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide
SMILESCCCC1=CCC(NC(=O)CCCCNS(=O)C(C)(C)C)CC1C
InChIInChI=1S/C19H36N2O2S/c1-6-9-16-11-12-17(14-15(16)2)21-18(22)10-7-8-13-20-24(23)19(3,4)5/h11,15,17,20H,6-10,12-14H2,1-5H3,(H,21,22)
InChIKeyKQLFHEBINFGOSH-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide?
The IUPAC name of 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide (CID 70974482) is 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide.
What is the SMILES notation for 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide?
The canonical SMILES for 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide is CCCC1=CCC(NC(=O)CCCCNS(=O)C(C)(C)C)CC1C.
What is the InChIKey of 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide?
The InChIKey is KQLFHEBINFGOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2S/c1-6-9-16-11-12-17(14-15(16)2)21-18(22)10-7-8-13-20-24(23)19(3,4)5/h11,15,17,20H,6-10,12-14H2,1-5H3,(H,21,22).
What are the key properties of 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide?
5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide has a molecular weight of 356.58 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide is sourced from PubChem (CID 70974482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).