5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide

C20H34N2O2S — CID 71040281

IUPAC5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
SMILESCC1CC2CC(NC(=O)CCCCNS(=O)C(C)(C)C)=CC=C2C1C
InChIInChI=1S/C20H34N2O2S/c1-14-12-16-13-17(9-10-18(16)15(14)2)22-19(23)8-6-7-11-21-25(24)20(3,4)5/h9-10,14-16,21H,6-8,11-13H2,1-5H3,(H,22,23)
InChIKeyUQELCKKXCQXTLI-UHFFFAOYSA-N
MW366.57 g/mol
LogP3.83
Rot. Bonds7

About 5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide

5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide (PubChem CID 71040281) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is 5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
PubChem CID71040281
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC Name5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
SMILESCC1CC2CC(NC(=O)CCCCNS(=O)C(C)(C)C)=CC=C2C1C
InChIInChI=1S/C20H34N2O2S/c1-14-12-16-13-17(9-10-18(16)15(14)2)22-19(23)8-6-7-11-21-25(24)20(3,4)5/h9-10,14-16,21H,6-8,11-13H2,1-5H3,(H,22,23)
InChIKeyUQELCKKXCQXTLI-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 53.83
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

N-[(3aR)-1,2-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(tert-butylsulfinylamino)pentanamide
CID 70892607
N-(2,3,3a,4-tetrahydro-1H-inden-5-yl)-4-(pentan-2-ylsulfinylamino)cyclohexane-1-carboxamide
CID 71040348
N-(2,3,7,7a-tetrahydro-1H-inden-5-yl)-4-(2-methylbutan-2-ylsulfinylamino)cyclohexane-1-carboxamide
CID 71040349
5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
CID 71040373
N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 71040377
5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
CID 71040475
N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 71040476
5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide
CID 71040479
(E)-5-(tert-butylsulfinylamino)-2-ethenyl-N-(1,2,3-trimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)hex-2-enamide
CID 89153848
5-(tert-butylsulfonylamino)-N-[(3S)-3-[(2Z)-2-ethylidenecyclopentyl]but-1-en-2-yl]pentanamide
CID 89214752
N-[(E)-1-(3,4-dimethyl-2-methylidenecyclopentyl)but-2-en-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 89214867
N-(3-but-3-enyl-2-methyl-2,3,4,5-tetrahydro-1H-inden-1-yl)-4-(tert-butylsulfinylamino)cyclohexa-1,3-diene-1-carboxamide
CID 89214941

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide?
The IUPAC name of 5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide (CID 71040281) is 5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide.
What is the SMILES notation for 5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide?
The canonical SMILES for 5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide is CC1CC2CC(NC(=O)CCCCNS(=O)C(C)(C)C)=CC=C2C1C.
What is the InChIKey of 5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide?
The InChIKey is UQELCKKXCQXTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-14-12-16-13-17(9-10-18(16)15(14)2)22-19(23)8-6-7-11-21-25(24)20(3,4)5/h9-10,14-16,21H,6-8,11-13H2,1-5H3,(H,22,23).
What are the key properties of 5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide?
5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide has a molecular weight of 366.57 g/mol, XLogP of 3.83, 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-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide is sourced from PubChem (CID 71040281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).