butylsulfanyl N-phenylcarbamate

C11H15NO2S — CID 153334606

IUPACbutylsulfanyl N-phenylcarbamate
SMILESCCCCSOC(=O)Nc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-2-3-9-15-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
InChIKeyBKTPVLOKLAXQKF-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.68
Rot. Bonds5

About butylsulfanyl N-phenylcarbamate

butylsulfanyl N-phenylcarbamate (PubChem CID 153334606) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is butylsulfanyl N-phenylcarbamate.

Molecular Properties

Compound Namebutylsulfanyl N-phenylcarbamate
PubChem CID153334606
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namebutylsulfanyl N-phenylcarbamate
SMILESCCCCSOC(=O)Nc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-2-3-9-15-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
InChIKeyBKTPVLOKLAXQKF-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl N-phenylcarbamate
CID 521818
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
S-heptyl N-phenylcarbamothioate
CID 118643411
(2-dodecylphenyl) N-phenylcarbamate
CID 141284635
phenyl N-(4-pentylphenyl)carbamate
CID 60630597
butyl N-(phenylcarbamoyl)carbamate
CID 67363969
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
1-butoxy-3-phenylurea
CID 4061845
N-butyl-N'-phenyloxamide
CID 2290889
1-pentoxy-3-phenylurea
CID 5118367
(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
CID 154538662

Frequently Asked Questions

What is the IUPAC name of butylsulfanyl N-phenylcarbamate?
The IUPAC name of butylsulfanyl N-phenylcarbamate (CID 153334606) is butylsulfanyl N-phenylcarbamate.
What is the SMILES notation for butylsulfanyl N-phenylcarbamate?
The canonical SMILES for butylsulfanyl N-phenylcarbamate is CCCCSOC(=O)Nc1ccccc1.
What is the InChIKey of butylsulfanyl N-phenylcarbamate?
The InChIKey is BKTPVLOKLAXQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-3-9-15-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13).
What are the key properties of butylsulfanyl N-phenylcarbamate?
butylsulfanyl N-phenylcarbamate has a molecular weight of 225.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl N-phenylcarbamate is sourced from PubChem (CID 153334606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).