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

C13H27N3S — CID 113473943

IUPAC1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCCSCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C13H27N3S/c1-2-17-10-9-15-6-5-13(11-15)16-7-3-12(14)4-8-16/h12-13H,2-11,14H2,1H3
InChIKeyGNKSOAFWSSXJKJ-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.24
Rot. Bonds5

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

1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 113473943) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID113473943
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCCSCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C13H27N3S/c1-2-17-10-9-15-6-5-13(11-15)16-7-3-12(14)4-8-16/h12-13H,2-11,14H2,1H3
InChIKeyGNKSOAFWSSXJKJ-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
CID 80553977
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
1-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 115741254
1-[1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553364
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine
CID 80553821
[1-(2-ethylsulfanylethyl)-4-methylpiperidin-3-yl]methanamine
CID 114961302
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-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine (CID 113473943) is 1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine is CCSCCN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is GNKSOAFWSSXJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-2-17-10-9-15-6-5-13(11-15)16-7-3-12(14)4-8-16/h12-13H,2-11,14H2,1H3.
What are the key properties of 1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 257.45 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 113473943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).