N-benzyl-N-benzylsulfanylthiohydroxylamine

C14H15NS2 — CID 141268379

IUPACN-benzyl-N-benzylsulfanylthiohydroxylamine
SMILESSN(Cc1ccccc1)SCc1ccccc1
InChIInChI=1S/C14H15NS2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyYGCPWHRKPXZETR-UHFFFAOYSA-N
MW261.42 g/mol
LogP4.18
Rot. Bonds5

About N-benzyl-N-benzylsulfanylthiohydroxylamine

N-benzyl-N-benzylsulfanylthiohydroxylamine (PubChem CID 141268379) has the molecular formula C14H15NS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is N-benzyl-N-benzylsulfanylthiohydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-benzylsulfanylthiohydroxylamine
PubChem CID141268379
Molecular FormulaC14H15NS2
Molecular Weight261.42 g/mol
Exact Mass261.06
IUPAC NameN-benzyl-N-benzylsulfanylthiohydroxylamine
SMILESSN(Cc1ccccc1)SCc1ccccc1
InChIInChI=1S/C14H15NS2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyYGCPWHRKPXZETR-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(benzylsulfanyl)carbamic acid
CID 18407492
potassium;N,N-dibenzylthiohydroxylamine;hydride;platinum
CID 173162264
N-benzyl-N-methanidyl-1-phenylmethanamine
CID 20756684
N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine
CID 11155599
2-[benzyl(sulfanyl)amino]ethanol
CID 88997173
S-benzylthiohydroxylamine
CID 14664407
N-benzyl-1-phenyl-N-silylmethanamine
CID 173404902
benzyl thiohypochlorite
CID 11332618
CID 175899509
CID 175899509
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
2-fluoroethylsulfanylmethylbenzene
CID 15639805
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-benzylsulfanylthiohydroxylamine?
The IUPAC name of N-benzyl-N-benzylsulfanylthiohydroxylamine (CID 141268379) is N-benzyl-N-benzylsulfanylthiohydroxylamine.
What is the SMILES notation for N-benzyl-N-benzylsulfanylthiohydroxylamine?
The canonical SMILES for N-benzyl-N-benzylsulfanylthiohydroxylamine is SN(Cc1ccccc1)SCc1ccccc1.
What is the InChIKey of N-benzyl-N-benzylsulfanylthiohydroxylamine?
The InChIKey is YGCPWHRKPXZETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10,16H,11-12H2.
What are the key properties of N-benzyl-N-benzylsulfanylthiohydroxylamine?
N-benzyl-N-benzylsulfanylthiohydroxylamine has a molecular weight of 261.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-benzylsulfanylthiohydroxylamine is sourced from PubChem (CID 141268379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).