1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine

C11H24N2S — CID 63597070

IUPAC1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine
SMILESCSCCCN1CCC(C(C)N)CC1
InChIInChI=1S/C11H24N2S/c1-10(12)11-4-7-13(8-5-11)6-3-9-14-2/h10-11H,3-9,12H2,1-2H3
InChIKeyHFCUNFOASPOWPG-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.80
Rot. Bonds5

About 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine

1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine (PubChem CID 63597070) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine
PubChem CID63597070
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine
SMILESCSCCCN1CCC(C(C)N)CC1
InChIInChI=1S/C11H24N2S/c1-10(12)11-4-7-13(8-5-11)6-3-9-14-2/h10-11H,3-9,12H2,1-2H3
InChIKeyHFCUNFOASPOWPG-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.80
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

1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]ethanamine
CID 115741368
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820
1-(2-methylsulfanylethyl)-4-propan-2-ylpiperidine
CID 59762113
1-[4-(1-aminoethyl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119520963
N-methyl-1-(3-methylsulfanylpropyl)piperidin-4-amine
CID 63965650
1-[4-(1-aminoethyl)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119517668
1-[1-(2-ethylsulfonylethyl)piperidin-4-yl]ethanamine
CID 63597306
3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
CID 63597136
6-(4-propan-2-ylpiperidin-1-yl)hexan-3-amine
CID 106800167
4-(3-methylsulfanylpropyl)morpholine
CID 2247110
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760
1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine (CID 63597070) is 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine is CSCCCN1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine?
The InChIKey is HFCUNFOASPOWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-10(12)11-4-7-13(8-5-11)6-3-9-14-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine?
1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine has a molecular weight of 216.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 63597070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).