1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine

C17H27N3S — CID 80553364

IUPAC1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(CCSc3ccccc3)C2)CC1
InChIInChI=1S/C17H27N3S/c18-15-6-10-20(11-7-15)16-8-9-19(14-16)12-13-21-17-4-2-1-3-5-17/h1-5,15-16H,6-14,18H2
InChIKeyUOWYJZUQEGBWCT-UHFFFAOYSA-N
MW305.49 g/mol
LogP2.28
Rot. Bonds5

About 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553364) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553364
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(CCSc3ccccc3)C2)CC1
InChIInChI=1S/C17H27N3S/c18-15-6-10-20(11-7-15)16-8-9-19(14-16)12-13-21-17-4-2-1-3-5-17/h1-5,15-16H,6-14,18H2
InChIKeyUOWYJZUQEGBWCT-UHFFFAOYSA-N
XLogP2.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine;hydrochloride
CID 119904979
[1-(2-phenylsulfanylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119915525
1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473943
N-methyl-1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]methanamine
CID 63267521
(1R,5S)-3-(2-phenylsulfanylethyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 122561047
3-(2-phenylsulfanylethyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927251
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
2-methyl-4-[1-(2-phenylsulfanylethyl)piperidin-4-yl]morpholine
CID 56792229
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
(3S)-1-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 97006233
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propanoic acid
CID 80553786

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553364) is 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(CCSc3ccccc3)C2)CC1.
What is the InChIKey of 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is UOWYJZUQEGBWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c18-15-6-10-20(11-7-15)16-8-9-19(14-16)12-13-21-17-4-2-1-3-5-17/h1-5,15-16H,6-14,18H2.
What are the key properties of 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 305.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).