cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

C16H25N2OS+ — CID 8876075

IUPACcyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1ccccc1NC(=O)C[N+](C)(C)C1CCCC1
InChIInChI=1S/C16H24N2OS/c1-18(2,13-8-4-5-9-13)12-16(19)17-14-10-6-7-11-15(14)20-3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3/p+1
InChIKeyAIGAZCKRZRXHDQ-UHFFFAOYSA-O
MW293.46 g/mol
LogP3.37
Rot. Bonds5

About cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium

cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (PubChem CID 8876075) has the molecular formula C16H25N2OS+ and a molecular weight of 293.46 g/mol. Its IUPAC name is cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
PubChem CID8876075
Molecular FormulaC16H25N2OS+
Molecular Weight293.46 g/mol
Exact Mass293.17
IUPAC Namecyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1ccccc1NC(=O)C[N+](C)(C)C1CCCC1
InChIInChI=1S/C16H24N2OS/c1-18(2,13-8-4-5-9-13)12-16(19)17-14-10-6-7-11-15(14)20-3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3/p+1
InChIKeyAIGAZCKRZRXHDQ-UHFFFAOYSA-O
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[[(2R)-oxan-2-yl]methyl]azanium
CID 9104939
N'-(2-methylsulfanylphenyl)-N-(oxan-2-ylmethyl)butanediamide
CID 50960888
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 62660823
2-[cyclopropyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetic acid
CID 60833392
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 9135223
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
(2R)-2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194221

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The IUPAC name of cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium (CID 8876075) is cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The canonical SMILES for cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is CSc1ccccc1NC(=O)C[N+](C)(C)C1CCCC1.
What is the InChIKey of cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
The InChIKey is AIGAZCKRZRXHDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2OS/c1-18(2,13-8-4-5-9-13)12-16(19)17-14-10-6-7-11-15(14)20-3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3/p+1.
What are the key properties of cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium?
cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium has a molecular weight of 293.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-dimethyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8876075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).