N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine

C16H26N2S — CID 79037843

IUPACN,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCSc2ccccc2)C1
InChIInChI=1S/C16H26N2S/c1-3-18(4-2)15-10-11-17(14-15)12-13-19-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyMEIPSNOUZKPLGO-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.19
Rot. Bonds7

About N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine

N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine (PubChem CID 79037843) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
PubChem CID79037843
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCSc2ccccc2)C1
InChIInChI=1S/C16H26N2S/c1-3-18(4-2)15-10-11-17(14-15)12-13-19-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyMEIPSNOUZKPLGO-UHFFFAOYSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-1-(2-phenylsulfanylethyl)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

(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine
CID 63321943
N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
CID 63267521
1,2-dimethyl-4-(2-phenylsulfanylethyl)piperazine
CID 79315398
3-(2-phenylsulfanylethyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927251
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
1-(2-phenylsulfanylethyl)pyrrolidine-3,4-diol
CID 106672594
1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553364
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211
(3S,4R)-3-imidazol-1-yl-4-methyl-1-(2-phenylsulfanylethyl)piperidine
CID 124784269
(3R,4S)-3-imidazol-1-yl-4-methyl-1-(2-phenylsulfanylethyl)piperidine
CID 97092565

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine (CID 79037843) is N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine is CCN(CC)C1CCN(CCSc2ccccc2)C1.
What is the InChIKey of N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine?
The InChIKey is MEIPSNOUZKPLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-3-18(4-2)15-10-11-17(14-15)12-13-19-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3.
What are the key properties of N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine?
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine has a molecular weight of 278.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 79037843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).