N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C18H28N2S — CID 106624965

IUPACN-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCSc1ccc(C(C)N(CC2CCCNC2)C2CC2)cc1
InChIInChI=1S/C18H28N2S/c1-14(16-5-9-18(21-2)10-6-16)20(17-7-8-17)13-15-4-3-11-19-12-15/h5-6,9-10,14-15,17,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyWNUNZOUCDFAEQR-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.93
Rot. Bonds6

About N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106624965) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106624965
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC NameN-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCSc1ccc(C(C)N(CC2CCCNC2)C2CC2)cc1
InChIInChI=1S/C18H28N2S/c1-14(16-5-9-18(21-2)10-6-16)20(17-7-8-17)13-15-4-3-11-19-12-15/h5-6,9-10,14-15,17,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyWNUNZOUCDFAEQR-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624967
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624899
N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 106624840
N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 106625018
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 120849617
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124
4-[1-[ethyl(piperidin-3-ylmethyl)amino]ethyl]benzonitrile
CID 106624478
4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623943

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106624965) is N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is CSc1ccc(C(C)N(CC2CCCNC2)C2CC2)cc1.
What is the InChIKey of N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is WNUNZOUCDFAEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-14(16-5-9-18(21-2)10-6-16)20(17-7-8-17)13-15-4-3-11-19-12-15/h5-6,9-10,14-15,17,19H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 304.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106624965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).