5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide

C15H25FN2O2S — CID 70892486

IUPAC5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide
SMILESCC(C)(C)S(=O)NCCCCC(=O)NC1=CC=CC(F)C1
InChIInChI=1S/C15H25FN2O2S/c1-15(2,3)21(20)17-10-5-4-9-14(19)18-13-8-6-7-12(16)11-13/h6-8,12,17H,4-5,9-11H2,1-3H3,(H,18,19)
InChIKeyHVIYTFAWKGJOLM-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.51
Rot. Bonds7

About 5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide

5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide (PubChem CID 70892486) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide
PubChem CID70892486
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide
SMILESCC(C)(C)S(=O)NCCCCC(=O)NC1=CC=CC(F)C1
InChIInChI=1S/C15H25FN2O2S/c1-15(2,3)21(20)17-10-5-4-9-14(19)18-13-8-6-7-12(16)11-13/h6-8,12,17H,4-5,9-11H2,1-3H3,(H,18,19)
InChIKeyHVIYTFAWKGJOLM-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(tert-butylsulfinylamino)-N-(5-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)pentanamide
CID 70892503
N-(2-fluorocyclohexa-2,4-dien-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 70974371
4-(tert-butylsulfinylamino)-N-[(6S)-2,6-difluorocyclohexa-1,3-dien-1-yl]cyclohex-3-ene-1-carboxamide
CID 70974492
5-(tert-butylsulfinylamino)-N-(4,5,6-trifluorocyclohexa-1,5-dien-1-yl)pentanamide
CID 71040280
5-(propan-2-ylsulfinylamino)-N-(4,5,6-trifluorocyclohexa-1,5-dien-1-yl)pentanamide
CID 71040361
5-(tert-butylsulfinylamino)-N-(5-fluoro-5-methylcyclohexa-1,3-dien-1-yl)pentanamide
CID 71040417
4-(tert-butylsulfinylamino)-N-[(2E)-3,5-difluorohepta-2,6-dienyl]cyclohexa-2,4-diene-1-carboxamide
CID 89153790
4-(tert-butylsulfinylamino)-N-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]cyclohexa-1,3-diene-1-carboxamide
CID 89153846
5-(propan-2-ylsulfonylamino)-N-[(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-yl]pentanamide
CID 89214862
(Z)-N-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-5-(propan-2-ylsulfinylamino)-2-prop-2-enylpent-3-enamide
CID 89214990
5-(tert-butylsulfinylamino)-N-[(3E,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-trien-4-yl]pentanamide
CID 89215014
5-(tert-butylsulfinylamino)-N-[(2E,4Z)-7,7,7-trifluoro-4-methylhepta-2,4-dien-3-yl]pentanamide
CID 162554353

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide?
The IUPAC name of 5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide (CID 70892486) is 5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide.
What is the SMILES notation for 5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide?
The canonical SMILES for 5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide is CC(C)(C)S(=O)NCCCCC(=O)NC1=CC=CC(F)C1.
What is the InChIKey of 5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide?
The InChIKey is HVIYTFAWKGJOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-15(2,3)21(20)17-10-5-4-9-14(19)18-13-8-6-7-12(16)11-13/h6-8,12,17H,4-5,9-11H2,1-3H3,(H,18,19).
What are the key properties of 5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide?
5-(tert-butylsulfinylamino)-N-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide has a molecular weight of 316.44 g/mol, XLogP of 2.51, 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-(5-fluorocyclohexa-1,3-dien-1-yl)pentanamide is sourced from PubChem (CID 70892486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).