1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine

C14H22N2S — CID 60861118

IUPAC1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2cccc(SC)c2)C1
InChIInChI=1S/C14H22N2S/c1-3-8-15-12-7-9-16(11-12)13-5-4-6-14(10-13)17-2/h4-6,10,12,15H,3,7-9,11H2,1-2H3
InChIKeyGXWUPLHFALSRIO-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.99
Rot. Bonds5

About 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine

1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine (PubChem CID 60861118) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine
PubChem CID60861118
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2cccc(SC)c2)C1
InChIInChI=1S/C14H22N2S/c1-3-8-15-12-7-9-16(11-12)13-5-4-6-14(10-13)17-2/h4-6,10,12,15H,3,7-9,11H2,1-2H3
InChIKeyGXWUPLHFALSRIO-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
1-(2,6-difluorophenyl)-N-propylpyrrolidin-3-amine
CID 43315556
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 63180231
[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 24703960
1-(4-bromo-3-chlorophenyl)-N-propylpyrrolidin-3-amine
CID 107613067
N-propyl-1-quinolin-6-ylpyrrolidin-3-amine
CID 62635980
1-(1-benzothiophen-5-yl)-N-propylpyrrolidin-3-amine
CID 65474122
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
CID 60860952
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
1-[3-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]ethanone
CID 117004457

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine (CID 60861118) is 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(c2cccc(SC)c2)C1.
What is the InChIKey of 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine?
The InChIKey is GXWUPLHFALSRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-8-15-12-7-9-16(11-12)13-5-4-6-14(10-13)17-2/h4-6,10,12,15H,3,7-9,11H2,1-2H3.
What are the key properties of 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine?
1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylphenyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 60861118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).