2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NS — CID 114272345

IUPAC2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=CCSC1CCc2ccccc2C1NCCC
InChIInChI=1S/C16H23NS/c1-3-11-17-16-14-8-6-5-7-13(14)9-10-15(16)18-12-4-2/h4-8,15-17H,2-3,9-12H2,1H3
InChIKeyJAAWGMUQPFFUEY-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.96
Rot. Bonds6

About 2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114272345) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114272345
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=CCSC1CCc2ccccc2C1NCCC
InChIInChI=1S/C16H23NS/c1-3-11-17-16-14-8-6-5-7-13(14)9-10-15(16)18-12-4-2/h4-8,15-17H,2-3,9-12H2,1H3
InChIKeyJAAWGMUQPFFUEY-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114272345) is 2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is C=CCSC1CCc2ccccc2C1NCCC.
What is the InChIKey of 2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JAAWGMUQPFFUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-3-11-17-16-14-8-6-5-7-13(14)9-10-15(16)18-12-4-2/h4-8,15-17H,2-3,9-12H2,1H3.
What are the key properties of 2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 261.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114272345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).