4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide

C17H26N2OS — CID 64711312

IUPAC4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CC(C)Sc1ccc2c(c1)CCC2)C(N)=O
InChIInChI=1S/C17H26N2OS/c1-4-19-17(3,16(18)20)11-12(2)21-15-9-8-13-6-5-7-14(13)10-15/h8-10,12,19H,4-7,11H2,1-3H3,(H2,18,20)
InChIKeyMLEAFSXEUSLXIR-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.90
Rot. Bonds7

About 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide

4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide (PubChem CID 64711312) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
PubChem CID64711312
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
SMILESCCNC(C)(CC(C)Sc1ccc2c(c1)CCC2)C(N)=O
InChIInChI=1S/C17H26N2OS/c1-4-19-17(3,16(18)20)11-12(2)21-15-9-8-13-6-5-7-14(13)10-15/h8-10,12,19H,4-7,11H2,1-3H3,(H2,18,20)
InChIKeyMLEAFSXEUSLXIR-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide
CID 64711254
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
CID 64709204
4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64712171
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64807072
2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
CID 64709642
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64705422
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64711066
N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
CID 55196306
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(propylamino)butanoic acid
CID 63465674
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
CID 8800471

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide (CID 64711312) is 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide is CCNC(C)(CC(C)Sc1ccc2c(c1)CCC2)C(N)=O.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide?
The InChIKey is MLEAFSXEUSLXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-19-17(3,16(18)20)11-12(2)21-15-9-8-13-6-5-7-14(13)10-15/h8-10,12,19H,4-7,11H2,1-3H3,(H2,18,20).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide?
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide has a molecular weight of 306.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide is sourced from PubChem (CID 64711312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).