N-benzylsulfanyl-2-methoxyaniline

C14H15NOS — CID 141445509

IUPACN-benzylsulfanyl-2-methoxyaniline
SMILESCOc1ccccc1NSCc1ccccc1
InChIInChI=1S/C14H15NOS/c1-16-14-10-6-5-9-13(14)15-17-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKeyHEUHQCYZLCMSHJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.96
Rot. Bonds5

About N-benzylsulfanyl-2-methoxyaniline

N-benzylsulfanyl-2-methoxyaniline (PubChem CID 141445509) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-benzylsulfanyl-2-methoxyaniline.

Molecular Properties

Compound NameN-benzylsulfanyl-2-methoxyaniline
PubChem CID141445509
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN-benzylsulfanyl-2-methoxyaniline
SMILESCOc1ccccc1NSCc1ccccc1
InChIInChI=1S/C14H15NOS/c1-16-14-10-6-5-9-13(14)15-17-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3
InChIKeyHEUHQCYZLCMSHJ-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzylsulfanyl-N-(2-methoxyphenyl)propanamide
CID 8797275
2-benzyl-N-(2-methoxyphenyl)aniline
CID 59889451
2-methoxy-N-phenylaniline
CID 10910514
N-(4-aminophenyl)sulfanyl-2-methoxyaniline
CID 143924264
2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
CID 4306504
1,1-dibenzyl-3-(2-methoxyphenyl)thiourea
CID 3583218
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
2-methoxy-N-(2-methyl-2-phenylpropyl)aniline
CID 82538820
benzyl-(2-methoxyphenyl)phosphane
CID 70560588
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840
3-[(2-methoxyanilino)methyl]benzoic acid
CID 75357537

Frequently Asked Questions

What is the IUPAC name of N-benzylsulfanyl-2-methoxyaniline?
The IUPAC name of N-benzylsulfanyl-2-methoxyaniline (CID 141445509) is N-benzylsulfanyl-2-methoxyaniline.
What is the SMILES notation for N-benzylsulfanyl-2-methoxyaniline?
The canonical SMILES for N-benzylsulfanyl-2-methoxyaniline is COc1ccccc1NSCc1ccccc1.
What is the InChIKey of N-benzylsulfanyl-2-methoxyaniline?
The InChIKey is HEUHQCYZLCMSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-16-14-10-6-5-9-13(14)15-17-11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3.
What are the key properties of N-benzylsulfanyl-2-methoxyaniline?
N-benzylsulfanyl-2-methoxyaniline has a molecular weight of 245.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfanyl-2-methoxyaniline is sourced from PubChem (CID 141445509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).