1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine

C15H24N2S — CID 116951598

IUPAC1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCCSc1ccc(C(CC2CCNC2)NC)cc1
InChIInChI=1S/C15H24N2S/c1-3-18-14-6-4-13(5-7-14)15(16-2)10-12-8-9-17-11-12/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyQANBXZGIEXEYHC-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.06
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine

1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (PubChem CID 116951598) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
PubChem CID116951598
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCCSc1ccc(C(CC2CCNC2)NC)cc1
InChIInChI=1S/C15H24N2S/c1-3-18-14-6-4-13(5-7-14)15(16-2)10-12-8-9-17-11-12/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyQANBXZGIEXEYHC-UHFFFAOYSA-N
XLogP3.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951547
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
N-methyl-1-(4-methylphenyl)-2-piperidin-4-ylethanamine
CID 116951785
1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951565
1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632
1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951614
3-(4-ethylsulfanylphenyl)pyrrolidine
CID 82492447
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951610
1-(4-ethylsulfanylphenyl)-N,3,3-trimethylbutane-1,4-diamine
CID 116950118
4-(4-ethylsulfanylphenyl)piperidine
CID 82494376
1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 106848877

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (CID 116951598) is 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is CCSc1ccc(C(CC2CCNC2)NC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The InChIKey is QANBXZGIEXEYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-18-14-6-4-13(5-7-14)15(16-2)10-12-8-9-17-11-12/h4-7,12,15-17H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine has a molecular weight of 264.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116951598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).