5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride

C16H25ClN2OS — CID 120638288

IUPAC5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCCSC1CCC(N(C)C(=O)c2cc(N)ccc2C)C1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-4-20-14-8-7-13(10-14)18(3)16(19)15-9-12(17)6-5-11(15)2;/h5-6,9,13-14H,4,7-8,10,17H2,1-3H3;1H
InChIKeyGTFAHZOYLAMDBJ-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.75
Rot. Bonds4

About 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride

5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride (PubChem CID 120638288) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride
PubChem CID120638288
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCCSC1CCC(N(C)C(=O)c2cc(N)ccc2C)C1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-4-20-14-8-7-13(10-14)18(3)16(19)15-9-12(17)6-5-11(15)2;/h5-6,9,13-14H,4,7-8,10,17H2,1-3H3;1H
InChIKeyGTFAHZOYLAMDBJ-UHFFFAOYSA-N
XLogP3.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
4-amino-5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-methoxy-N-methylbenzamide
CID 119817018
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
N-(3-ethylsulfanylcyclopentyl)-N,6-dimethylpyridine-3-carboxamide
CID 71993569
5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
CID 120646621
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-2-iodo-N-methyl-3-nitrobenzamide
CID 99783416
N-(3-ethylsulfanylcyclopentyl)-2-iodo-N-methyl-3-nitrobenzamide
CID 91648119
4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119187147

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride (CID 120638288) is 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride is CCSC1CCC(N(C)C(=O)c2cc(N)ccc2C)C1.Cl.
What is the InChIKey of 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride?
The InChIKey is GTFAHZOYLAMDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-4-20-14-8-7-13(10-14)18(3)16(19)15-9-12(17)6-5-11(15)2;/h5-6,9,13-14H,4,7-8,10,17H2,1-3H3;1H.
What are the key properties of 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride?
5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120638288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).