3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine

C15H32N2S — CID 114247777

IUPAC3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCCN1CCC(C(C)NCCCSCC)CC1
InChIInChI=1S/C15H32N2S/c1-4-10-17-11-7-15(8-12-17)14(3)16-9-6-13-18-5-2/h14-16H,4-13H2,1-3H3
InChIKeyRQZFUZDBGODIEL-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.23
Rot. Bonds9

About 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine

3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine (PubChem CID 114247777) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
PubChem CID114247777
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCCN1CCC(C(C)NCCCSCC)CC1
InChIInChI=1S/C15H32N2S/c1-4-10-17-11-7-15(8-12-17)14(3)16-9-6-13-18-5-2/h14-16H,4-13H2,1-3H3
InChIKeyRQZFUZDBGODIEL-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
CID 54920422
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43308281
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
CID 116642856
N'-ethyl-N'-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 62635023
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine (CID 114247777) is 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine is CCCN1CCC(C(C)NCCCSCC)CC1.
What is the InChIKey of 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine?
The InChIKey is RQZFUZDBGODIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-4-10-17-11-7-15(8-12-17)14(3)16-9-6-13-18-5-2/h14-16H,4-13H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine?
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine has a molecular weight of 272.50 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114247777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).