N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine

C15H20N2S — CID 144771559

IUPACN-naphthalen-2-ylsulfanylmethanamine;pyrrolidine
SMILESC1CCNC1.CNSc1ccc2ccccc2c1
InChIInChI=1S/C11H11NS.C4H9N/c1-12-13-11-7-6-9-4-2-3-5-10(9)8-11;1-2-4-5-3-1/h2-8,12H,1H3;5H,1-4H2
InChIKeyNLQZREWCNNFVBP-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.44
Rot. Bonds2

About N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine

N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine (PubChem CID 144771559) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine.

Molecular Properties

Compound NameN-naphthalen-2-ylsulfanylmethanamine;pyrrolidine
PubChem CID144771559
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-naphthalen-2-ylsulfanylmethanamine;pyrrolidine
SMILESC1CCNC1.CNSc1ccc2ccccc2c1
InChIInChI=1S/C11H11NS.C4H9N/c1-12-13-11-7-6-9-4-2-3-5-10(9)8-11;1-2-4-5-3-1/h2-8,12H,1H3;5H,1-4H2
InChIKeyNLQZREWCNNFVBP-UHFFFAOYSA-N
XLogP3.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine?
The IUPAC name of N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine (CID 144771559) is N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine.
What is the SMILES notation for N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine?
The canonical SMILES for N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine is C1CCNC1.CNSc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine?
The InChIKey is NLQZREWCNNFVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C4H9N/c1-12-13-11-7-6-9-4-2-3-5-10(9)8-11;1-2-4-5-3-1/h2-8,12H,1H3;5H,1-4H2.
What are the key properties of N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine?
N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine has a molecular weight of 260.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylsulfanylmethanamine;pyrrolidine is sourced from PubChem (CID 144771559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).