N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine

C17H28N2S — CID 115901640

IUPACN-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESCCC(CSC)NC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C17H28N2S/c1-3-16(14-20-2)18-17-10-12-19(13-17)11-9-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3
InChIKeyKYRPFPULEQPSES-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.03
Rot. Bonds8

About N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine

N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine (PubChem CID 115901640) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine
PubChem CID115901640
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESCCC(CSC)NC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C17H28N2S/c1-3-16(14-20-2)18-17-10-12-19(13-17)11-9-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3
InChIKeyKYRPFPULEQPSES-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211193
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine
CID 103952918
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
CID 83010441
N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61212133

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine (CID 115901640) is N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine is CCC(CSC)NC1CCN(CCc2ccccc2)C1.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The InChIKey is KYRPFPULEQPSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-3-16(14-20-2)18-17-10-12-19(13-17)11-9-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3.
What are the key properties of N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine?
N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine has a molecular weight of 292.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115901640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).