N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine

C13H19NS — CID 115769694

IUPACN-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
SMILESCCSc1ccc(C(C)NC2CC2)cc1
InChIInChI=1S/C13H19NS/c1-3-15-13-8-4-11(5-9-13)10(2)14-12-6-7-12/h4-5,8-10,12,14H,3,6-7H2,1-2H3
InChIKeyHCYHBAKUYMHPCS-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.61
Rot. Bonds5

About N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine

N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine (PubChem CID 115769694) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
PubChem CID115769694
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
SMILESCCSc1ccc(C(C)NC2CC2)cc1
InChIInChI=1S/C13H19NS/c1-3-15-13-8-4-11(5-9-13)10(2)14-12-6-7-12/h4-5,8-10,12,14H,3,6-7H2,1-2H3
InChIKeyHCYHBAKUYMHPCS-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-ethylsulfanylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031139
2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
CID 112514142
N-[1-(4-methylsulfanylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63436798
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
N-[1-(4-methylsulfanylphenyl)ethyl]cyclohexanamine
CID 43189980
N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116906127
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
CID 115769723
3-N-[1-(4-methylsulfanylphenyl)ethyl]cyclopentane-1,3-diamine
CID 79461227
N-[1-(4-chlorophenyl)ethyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103711389
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide
CID 95977786

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine (CID 115769694) is N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine is CCSc1ccc(C(C)NC2CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine?
The InChIKey is HCYHBAKUYMHPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-15-13-8-4-11(5-9-13)10(2)14-12-6-7-12/h4-5,8-10,12,14H,3,6-7H2,1-2H3.
What are the key properties of N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine?
N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine has a molecular weight of 221.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 115769694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).