N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide

C16H24N2OS — CID 103786748

IUPACN-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
SMILESCSC1CCC(NC(C)c2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C16H24N2OS/c1-11(17-15-7-8-16(10-15)20-3)13-5-4-6-14(9-13)18-12(2)19/h4-6,9,11,15-17H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyKARMQXRFPXKIQJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.58
Rot. Bonds5

About N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide (PubChem CID 103786748) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
PubChem CID103786748
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
SMILESCSC1CCC(NC(C)c2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C16H24N2OS/c1-11(17-15-7-8-16(10-15)20-3)13-5-4-6-14(9-13)18-12(2)19/h4-6,9,11,15-17H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyKARMQXRFPXKIQJ-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 103786809
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103240431
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113245740
N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60979759
3-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]cyclopentan-1-amine
CID 103786848

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide (CID 103786748) is N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide is CSC1CCC(NC(C)c2cccc(NC(C)=O)c2)C1.
What is the InChIKey of N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide?
The InChIKey is KARMQXRFPXKIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(17-15-7-8-16(10-15)20-3)13-5-4-6-14(9-13)18-12(2)19/h4-6,9,11,15-17H,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide has a molecular weight of 292.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 103786748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).