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

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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).