N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide

C14H18N2OS — CID 3110489

IUPACN-(cyclopentylideneamino)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NN=C1CCCC1
InChIInChI=1S/C14H18N2OS/c1-11(18-13-9-3-2-4-10-13)14(17)16-15-12-7-5-6-8-12/h2-4,9-11H,5-8H2,1H3,(H,16,17)
InChIKeyIRYKSGZUIMVJJV-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.21
Rot. Bonds4

About N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide

N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide (PubChem CID 3110489) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2-phenylsulfanylpropanamide
PubChem CID3110489
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(cyclopentylideneamino)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NN=C1CCCC1
InChIInChI=1S/C14H18N2OS/c1-11(18-13-9-3-2-4-10-13)14(17)16-15-12-7-5-6-8-12/h2-4,9-11H,5-8H2,1H3,(H,16,17)
InChIKeyIRYKSGZUIMVJJV-UHFFFAOYSA-N
XLogP3.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide (CID 3110489) is N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NN=C1CCCC1.
What is the InChIKey of N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide?
The InChIKey is IRYKSGZUIMVJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11(18-13-9-3-2-4-10-13)14(17)16-15-12-7-5-6-8-12/h2-4,9-11H,5-8H2,1H3,(H,16,17).
What are the key properties of N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide?
N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide has a molecular weight of 262.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 3110489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).