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

C14H29N3S — CID 113473944

IUPAC1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCCSCCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H29N3S/c1-2-18-11-3-7-16-8-6-14(12-16)17-9-4-13(15)5-10-17/h13-14H,2-12,15H2,1H3
InChIKeyCZGCUVIWGIJIHE-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.63
Rot. Bonds6

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

1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 113473944) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is 1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID113473944
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC Name1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCCSCCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H29N3S/c1-2-18-11-3-7-16-8-6-14(12-16)17-9-4-13(15)5-10-17/h13-14H,2-12,15H2,1H3
InChIKeyCZGCUVIWGIJIHE-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.63
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

N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
2,2-Dimethylperhydrothiazolopyridine
CID 129790819
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
1-(4-Methylsulfanylpyrrolidin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine
CID 82759852
1-(Thiolan-2-ylmethyl)-2-(trifluoromethyl)piperazine
CID 115101293
1-[1-[2-(Trifluoromethylsulfanyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 116616980
3-[(3-Fluoropyrrolidin-1-yl)methyl]thiomorpholine
CID 164657987
4-Fluoro-1-[4-(methylsulfanyl)pyrrolidin-3-yl]piperidine
CID 164659405
3-(Pyrrolidin-1-ylmethyl)thiomorpholine
CID 15730147
1-[2-(Methylthio)ethyl]-4-piperidinamine
CID 18001931
(R)-3-(1-pyrrolidinylmethyl)thiomorpholine
CID 18645474
3-(Pyrrolidin-1-ylmethyl)thiomorpholine dihydrochloride
CID 18915088

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine (CID 113473944) is 1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine is CCSCCCN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is CZGCUVIWGIJIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-2-18-11-3-7-16-8-6-14(12-16)17-9-4-13(15)5-10-17/h13-14H,2-12,15H2,1H3.
What are the key properties of 1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 271.47 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 113473944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).