5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide

C20H34N2O2S — CID 71040475

IUPAC5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
SMILESCC1=C2CCCC2[C@H](C)C(NC(=O)CCCCNS(=O)C(C)(C)C)=C1
InChIInChI=1S/C20H34N2O2S/c1-14-13-18(15(2)17-10-8-9-16(14)17)22-19(23)11-6-7-12-21-25(24)20(3,4)5/h13,15,17,21H,6-12H2,1-5H3,(H,22,23)/t15-,17?,25?/m0/s1
InChIKeyFSXGDAIGWGBLAR-CLOFQODFSA-N
MW366.57 g/mol
LogP3.97
Rot. Bonds7

About 5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide

5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide (PubChem CID 71040475) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is 5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
PubChem CID71040475
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC Name5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
SMILESCC1=C2CCCC2[C@H](C)C(NC(=O)CCCCNS(=O)C(C)(C)C)=C1
InChIInChI=1S/C20H34N2O2S/c1-14-13-18(15(2)17-10-8-9-16(14)17)22-19(23)11-6-7-12-21-25(24)20(3,4)5/h13,15,17,21H,6-12H2,1-5H3,(H,22,23)/t15-,17?,25?/m0/s1
InChIKeyFSXGDAIGWGBLAR-CLOFQODFSA-N
XLogP3.97
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 ≤ 53.97
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-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide 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

N-[(3aR)-1,2-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(tert-butylsulfinylamino)pentanamide
CID 70892607
5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
CID 71040281
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
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(tert-butylsulfonylamino)pentanamide
CID 71040419
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
N-[(4S)-4-methyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-4-(propan-2-ylsulfanylamino)cyclohex-3-ene-1-carboxamide
CID 89073752
(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

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide?
The IUPAC name of 5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide (CID 71040475) is 5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide is CC1=C2CCCC2[C@H](C)C(NC(=O)CCCCNS(=O)C(C)(C)C)=C1.
What is the InChIKey of 5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide?
The InChIKey is FSXGDAIGWGBLAR-CLOFQODFSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-14-13-18(15(2)17-10-8-9-16(14)17)22-19(23)11-6-7-12-21-25(24)20(3,4)5/h13,15,17,21H,6-12H2,1-5H3,(H,22,23)/t15-,17?,25?/m0/s1.
What are the key properties of 5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide?
5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide has a molecular weight of 366.57 g/mol, XLogP of 3.97, 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-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide is sourced from PubChem (CID 71040475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).