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

C10H20N2S — CID 106425933

IUPACN-(2-prop-2-enylsulfanylethyl)piperidin-3-amine
SMILESC=CCSCCNC1CCCNC1
InChIInChI=1S/C10H20N2S/c1-2-7-13-8-6-12-10-4-3-5-11-9-10/h2,10-12H,1,3-9H2
InChIKeyCTGMRWRQBHWIGI-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.25
Rot. Bonds6

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

N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine (PubChem CID 106425933) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)piperidin-3-amine
PubChem CID106425933
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-(2-prop-2-enylsulfanylethyl)piperidin-3-amine
SMILESC=CCSCCNC1CCCNC1
InChIInChI=1S/C10H20N2S/c1-2-7-13-8-6-12-10-4-3-5-11-9-10/h2,10-12H,1,3-9H2
InChIKeyCTGMRWRQBHWIGI-UHFFFAOYSA-N
XLogP1.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine (CID 106425933) is N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine is C=CCSCCNC1CCCNC1.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine?
The InChIKey is CTGMRWRQBHWIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-2-7-13-8-6-12-10-4-3-5-11-9-10/h2,10-12H,1,3-9H2.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine?
N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine has a molecular weight of 200.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)piperidin-3-amine is sourced from PubChem (CID 106425933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).