2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide

C14H17F3N2OS — CID 99815703

IUPAC2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide
SMILESCS[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1
InChIInChI=1S/C14H17F3N2OS/c1-21-10-4-3-9(7-10)19-13(20)11-6-8(14(15,16)17)2-5-12(11)18/h2,5-6,9-10H,3-4,7,18H2,1H3,(H,19,20)/t9-,10-/m0/s1
InChIKeyYQGAIMNNUVJREK-UWVGGRQHSA-N
MW318.36 g/mol
LogP3.30
Rot. Bonds3

About 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide

2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide (PubChem CID 99815703) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide
PubChem CID99815703
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide
SMILESCS[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1
InChIInChI=1S/C14H17F3N2OS/c1-21-10-4-3-9(7-10)19-13(20)11-6-8(14(15,16)17)2-5-12(11)18/h2,5-6,9-10H,3-4,7,18H2,1H3,(H,19,20)/t9-,10-/m0/s1
InChIKeyYQGAIMNNUVJREK-UWVGGRQHSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114122249
4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
CID 104589608
2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114124028
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
2-amino-N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-5-(trifluoromethyl)benzamide
CID 99815640
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-bromo-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 106547462
2-amino-N-[2-[[5-(methylcarbamoylamino)-2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
CID 44570713
2,3,6-trifluoro-N-(3-methylsulfanylcyclopentyl)benzamide
CID 86816211
2,3,6-trifluoro-N-[(1R,3S)-3-methylsulfanylcyclopentyl]benzamide
CID 99616260
3-hydroxy-N-(3-methylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103762366

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide (CID 99815703) is 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide is CS[C@H]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1.
What is the InChIKey of 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide?
The InChIKey is YQGAIMNNUVJREK-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c1-21-10-4-3-9(7-10)19-13(20)11-6-8(14(15,16)17)2-5-12(11)18/h2,5-6,9-10H,3-4,7,18H2,1H3,(H,19,20)/t9-,10-/m0/s1.
What are the key properties of 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide?
2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide has a molecular weight of 318.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 99815703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).