3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide

C16H24N2O2S — CID 119759977

IUPAC3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCOc1cc(CN(C)C(=O)C2CCC(N)C2)ccc1SC
InChIInChI=1S/C16H24N2O2S/c1-18(16(19)12-5-6-13(17)9-12)10-11-4-7-15(21-3)14(8-11)20-2/h4,7-8,12-13H,5-6,9-10,17H2,1-3H3
InChIKeyJYJZDRYDMZCNKQ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.50
Rot. Bonds5

About 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide

3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 119759977) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
PubChem CID119759977
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCOc1cc(CN(C)C(=O)C2CCC(N)C2)ccc1SC
InChIInChI=1S/C16H24N2O2S/c1-18(16(19)12-5-6-13(17)9-12)10-11-4-7-15(21-3)14(8-11)20-2/h4,7-8,12-13H,5-6,9-10,17H2,1-3H3
InChIKeyJYJZDRYDMZCNKQ-UHFFFAOYSA-N
XLogP2.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119704996
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119689736
2-(cyclopropylmethylamino)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119759990
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119309836
cis-(1S,3R)-3-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683673
(2R)-2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119309860
3-amino-N-methyl-N-[(3-methylsulfanylphenyl)methyl]cyclohexane-1-carboxamide
CID 156608399
3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807766
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760008
4-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylbenzamide
CID 60605651
2-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668040
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide (CID 119759977) is 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide is COc1cc(CN(C)C(=O)C2CCC(N)C2)ccc1SC.
What is the InChIKey of 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is JYJZDRYDMZCNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-18(16(19)12-5-6-13(17)9-12)10-11-4-7-15(21-3)14(8-11)20-2/h4,7-8,12-13H,5-6,9-10,17H2,1-3H3.
What are the key properties of 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 119759977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).