4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide

C14H20N2OS — CID 103797799

IUPAC4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C14H20N2OS/c1-18-13-7-6-12(8-13)16-14(17)11-4-2-10(9-15)3-5-11/h2-5,12-13H,6-9,15H2,1H3,(H,16,17)
InChIKeyUEBQWKTXPMCBRV-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.16
Rot. Bonds4

About 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide

4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide (PubChem CID 103797799) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
PubChem CID103797799
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C14H20N2OS/c1-18-13-7-6-12(8-13)16-14(17)11-4-2-10(9-15)3-5-11/h2-5,12-13H,6-9,15H2,1H3,(H,16,17)
InChIKeyUEBQWKTXPMCBRV-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103737055
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
N-(4-methylsulfanylcyclohexyl)benzamide
CID 114124420
4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
CID 114550091
ethyl 4-[[4-(aminomethyl)benzoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297435
4-(aminomethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 119892080
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
CID 113245262
4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide
CID 124693465
4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
CID 119900325

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide (CID 103797799) is 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide is CSC1CCC(NC(=O)c2ccc(CN)cc2)C1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide?
The InChIKey is UEBQWKTXPMCBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-13-7-6-12(8-13)16-14(17)11-4-2-10(9-15)3-5-11/h2-5,12-13H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide?
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 103797799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).