1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine

C11H22N2S — CID 106425601

IUPAC1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine
SMILESC=CCSCCNC1CCCN(C)C1
InChIInChI=1S/C11H22N2S/c1-3-8-14-9-6-12-11-5-4-7-13(2)10-11/h3,11-12H,1,4-10H2,2H3
InChIKeyWPWFRLUBRPVRIC-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.59
Rot. Bonds6

About 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine

1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine (PubChem CID 106425601) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine
PubChem CID106425601
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine
SMILESC=CCSCCNC1CCCN(C)C1
InChIInChI=1S/C11H22N2S/c1-3-8-14-9-6-12-11-5-4-7-13(2)10-11/h3,11-12H,1,4-10H2,2H3
InChIKeyWPWFRLUBRPVRIC-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-prop-2-enylsulfanylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914417
ethane;N-methyl-N-(2-methylsulfanylethyl)piperidin-3-amine
CID 145701271
1-(3-Prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine
CID 166455970
(E)-N-piperidin-3-ylprop-1-ene-1-sulfinamide
CID 170609437
2-Thiomorpholin-4-ylpentan-1-amine
CID 43210653
1-Thiomorpholin-4-ylpentan-2-amine
CID 43650446
N-(2-thiomorpholin-4-ylpropyl)pentan-2-amine
CID 62556622
N-prop-2-enyl-2-thiomorpholin-4-ylpropan-1-amine
CID 62558854
N-(2-thiomorpholin-4-ylpropyl)pentan-1-amine
CID 62558856
2-(1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpropan-1-amine
CID 62569219
N-(2-thiomorpholin-4-ylethyl)pentan-2-amine
CID 62574166
N-[2-(3-methylthiomorpholin-4-yl)propyl]pentan-1-amine
CID 64052018

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine?
The IUPAC name of 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine (CID 106425601) is 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine?
The canonical SMILES for 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine is C=CCSCCNC1CCCN(C)C1.
What is the InChIKey of 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine?
The InChIKey is WPWFRLUBRPVRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-8-14-9-6-12-11-5-4-7-13(2)10-11/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine?
1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine is sourced from PubChem (CID 106425601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).