[4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium

C16H19N2S+ — CID 163536937

IUPAC[4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium
SMILES[NH2+]=Cc1ccc(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/p+1
InChIKeyDXUJKLQRLLVODG-UHFFFAOYSA-O
MW271.41 g/mol
LogP2.56
Rot. Bonds4

About [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium

[4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium (PubChem CID 163536937) has the molecular formula C16H19N2S+ and a molecular weight of 271.41 g/mol. Its IUPAC name is [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium.

Molecular Properties

Compound Name[4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium
PubChem CID163536937
Molecular FormulaC16H19N2S+
Molecular Weight271.41 g/mol
Exact Mass271.13
IUPAC Name[4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium
SMILES[NH2+]=Cc1ccc(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/p+1
InChIKeyDXUJKLQRLLVODG-UHFFFAOYSA-O
XLogP2.56
TPSA37.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium?
The IUPAC name of [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium (CID 163536937) is [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium.
What is the SMILES notation for [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium?
The canonical SMILES for [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium is [NH2+]=Cc1ccc(SNC2CCCC2)c2ccccc12.
What is the InChIKey of [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium?
The InChIKey is DXUJKLQRLLVODG-UHFFFAOYSA-O. 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/p+1.
What are the key properties of [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium?
[4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium has a molecular weight of 271.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylamino)sulfanylnaphthalen-1-yl]methylideneazanium is sourced from PubChem (CID 163536937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).