N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide

C14H16Cl2N2OS — CID 3900665

IUPACN-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)NN=C1CCCC1
InChIInChI=1S/C14H16Cl2N2OS/c15-12-6-3-7-13(16)11(12)8-20-9-14(19)18-17-10-4-1-2-5-10/h3,6-7H,1-2,4-5,8-9H2,(H,18,19)
InChIKeyOETDDENMVHRYFT-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.27
Rot. Bonds5

About N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide

N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 3900665) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID3900665
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC NameN-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)NN=C1CCCC1
InChIInChI=1S/C14H16Cl2N2OS/c15-12-6-3-7-13(16)11(12)8-20-9-14(19)18-17-10-4-1-2-5-10/h3,6-7H,1-2,4-5,8-9H2,(H,18,19)
InChIKeyOETDDENMVHRYFT-UHFFFAOYSA-N
XLogP4.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.27
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-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide (CID 3900665) is N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1c(Cl)cccc1Cl)NN=C1CCCC1.
What is the InChIKey of N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is OETDDENMVHRYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c15-12-6-3-7-13(16)11(12)8-20-9-14(19)18-17-10-4-1-2-5-10/h3,6-7H,1-2,4-5,8-9H2,(H,18,19).
What are the key properties of N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 331.27 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 3900665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).