1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine

C15H24N2S — CID 113360749

IUPAC1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine
SMILESCc1ccc(SCCN2CCC(C(C)N)C2)cc1
InChIInChI=1S/C15H24N2S/c1-12-3-5-15(6-4-12)18-10-9-17-8-7-14(11-17)13(2)16/h3-6,13-14H,7-11,16H2,1-2H3
InChIKeyBMTKMSKAKRRIMQ-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.76
Rot. Bonds5

About 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine

1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 113360749) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine
PubChem CID113360749
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine
SMILESCc1ccc(SCCN2CCC(C(C)N)C2)cc1
InChIInChI=1S/C15H24N2S/c1-12-3-5-15(6-4-12)18-10-9-17-8-7-14(11-17)13(2)16/h3-6,13-14H,7-11,16H2,1-2H3
InChIKeyBMTKMSKAKRRIMQ-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
1-[1-[2-(2,5-dichlorophenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine
CID 112630214
N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine
CID 113282005
1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 112630158
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
5-[2-(4-methylphenyl)sulfanylethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916822
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 104869878
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine (CID 113360749) is 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine is Cc1ccc(SCCN2CCC(C(C)N)C2)cc1.
What is the InChIKey of 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is BMTKMSKAKRRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12-3-5-15(6-4-12)18-10-9-17-8-7-14(11-17)13(2)16/h3-6,13-14H,7-11,16H2,1-2H3.
What are the key properties of 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine?
1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 264.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 113360749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).