N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine

C16H18N2S — CID 142003423

IUPACN-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine
SMILES[H]/N=C/c1ccc(SNC2CCCC2)c2ccccc12
InChIInChI=1S/C16H18N2S/c17-11-12-9-10-16(15-8-4-3-7-14(12)15)19-18-13-5-1-2-6-13/h3-4,7-11,13,17-18H,1-2,5-6H2/b17-11+
InChIKeyDXUJKLQRLLVODG-GZTJUZNOSA-N
MW270.40 g/mol
LogP4.38
Rot. Bonds4

About N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine

N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine (PubChem CID 142003423) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine.

Molecular Properties

Compound NameN-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine
PubChem CID142003423
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine
SMILES[H]/N=C/c1ccc(SNC2CCCC2)c2ccccc12
InChIInChI=1S/C16H18N2S/c17-11-12-9-10-16(15-8-4-3-7-14(12)15)19-18-13-5-1-2-6-13/h3-4,7-11,13,17-18H,1-2,5-6H2/b17-11+
InChIKeyDXUJKLQRLLVODG-GZTJUZNOSA-N
XLogP4.38
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine?
The IUPAC name of N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine (CID 142003423) is N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine.
What is the SMILES notation for N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine?
The canonical SMILES for N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine is [H]/N=C/c1ccc(SNC2CCCC2)c2ccccc12.
What is the InChIKey of N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine?
The InChIKey is DXUJKLQRLLVODG-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2S/c17-11-12-9-10-16(15-8-4-3-7-14(12)15)19-18-13-5-1-2-6-13/h3-4,7-11,13,17-18H,1-2,5-6H2/b17-11+.
What are the key properties of N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine?
N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine has a molecular weight of 270.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methanimidoylnaphthalen-1-yl)sulfanylcyclopentanamine is sourced from PubChem (CID 142003423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).