2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine

C10H19NS2 — CID 107166202

IUPAC2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESC=CCSCCNCC1CCSC1
InChIInChI=1S/C10H19NS2/c1-2-5-12-7-4-11-8-10-3-6-13-9-10/h2,10-11H,1,3-9H2
InChIKeySMEATHGXPMVZQN-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.25
Rot. Bonds7

About 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine

2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107166202) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107166202
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine
SMILESC=CCSCCNCC1CCSC1
InChIInChI=1S/C10H19NS2/c1-2-5-12-7-4-11-8-10-3-6-13-9-10/h2,10-11H,1,3-9H2
InChIKeySMEATHGXPMVZQN-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine (CID 107166202) is 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine is C=CCSCCNCC1CCSC1.
What is the InChIKey of 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is SMEATHGXPMVZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-2-5-12-7-4-11-8-10-3-6-13-9-10/h2,10-11H,1,3-9H2.
What are the key properties of 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine?
2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 217.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107166202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).