1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine

C11H20N2S — CID 166455970

IUPAC1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine
SMILESC=C(C)SCC(=C)N1CCCC(N)C1
InChIInChI=1S/C11H20N2S/c1-9(2)14-8-10(3)13-6-4-5-11(12)7-13/h11H,1,3-8,12H2,2H3
InChIKeyBGFFNOSISNOSBZ-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.19
Rot. Bonds4

About 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine

1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine (PubChem CID 166455970) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine
PubChem CID166455970
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine
SMILESC=C(C)SCC(=C)N1CCCC(N)C1
InChIInChI=1S/C11H20N2S/c1-9(2)14-8-10(3)13-6-4-5-11(12)7-13/h11H,1,3-8,12H2,2H3
InChIKeyBGFFNOSISNOSBZ-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Ethyl-2,3-dihydrothiophen-4-yl)piperazine
CID 57130705
2-Thiomorpholin-4-ylpentan-1-amine
CID 43210653
1-Thiomorpholin-4-ylpentan-2-amine
CID 43650446
2-(2,6-Dimethylthiomorpholin-4-yl)pentan-1-amine
CID 64114665
1-(2,6-Dimethylthiomorpholin-4-yl)pentan-2-amine
CID 64120076
(3R)-1-(2-ethylsulfanylethyl)piperidin-3-amine
CID 102977255
N-[(1-methylpiperidin-2-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106425460
1-methyl-N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine
CID 106425601
N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine
CID 106425933
2-Ethyl-5-methyl-1-(2-prop-2-enylsulfanylethyl)piperazine
CID 106432590
2-Methyl-1-(2-prop-2-enylsulfanylethyl)-5-propylpiperazine
CID 106432614
3-Ethyl-1-(2-prop-2-enylsulfanylethyl)piperazine
CID 106432640

Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine?
The IUPAC name of 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine (CID 166455970) is 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine is C=C(C)SCC(=C)N1CCCC(N)C1.
What is the InChIKey of 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine?
The InChIKey is BGFFNOSISNOSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(2)14-8-10(3)13-6-4-5-11(12)7-13/h11H,1,3-8,12H2,2H3.
What are the key properties of 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine?
1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine has a molecular weight of 212.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-1-en-2-ylsulfanylprop-1-en-2-yl)piperidin-3-amine is sourced from PubChem (CID 166455970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).