3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide

C16H24N2OS — CID 95898425

IUPAC3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide
SMILESCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C16H24N2OS/c1-17(2)13-7-5-6-12(10-13)16(19)18(3)14-8-9-15(11-14)20-4/h5-7,10,14-15H,8-9,11H2,1-4H3/t14-,15+/m0/s1
InChIKeyVNDBDZRLMXQDQF-LSDHHAIUSA-N
MW292.45 g/mol
LogP3.11
Rot. Bonds4

About 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide

3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide (PubChem CID 95898425) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide
PubChem CID95898425
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide
SMILESCS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C16H24N2OS/c1-17(2)13-7-5-6-12(10-13)16(19)18(3)14-8-9-15(11-14)20-4/h5-7,10,14-15H,8-9,11H2,1-4H3/t14-,15+/m0/s1
InChIKeyVNDBDZRLMXQDQF-LSDHHAIUSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71866658
N-[(1R,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(propanoylamino)benzamide
CID 97095251
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
2-[3-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187152
N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 95934248
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide
CID 96517663
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71914679
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide (CID 95898425) is 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide is CS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(N(C)C)c2)C1.
What is the InChIKey of 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide?
The InChIKey is VNDBDZRLMXQDQF-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-17(2)13-7-5-6-12(10-13)16(19)18(3)14-8-9-15(11-14)20-4/h5-7,10,14-15H,8-9,11H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide?
3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide has a molecular weight of 292.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide is sourced from PubChem (CID 95898425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).