tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate

C14H21NO2S — CID 141095560

IUPACtert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate
SMILESCCSc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO2S/c1-5-18-12-8-6-7-11(9-12)10-15-13(16)17-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyGZIXOXAKBJUONC-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.82
Rot. Bonds4

About tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate

tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate (PubChem CID 141095560) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate
PubChem CID141095560
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate
SMILESCCSc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO2S/c1-5-18-12-8-6-7-11(9-12)10-15-13(16)17-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16)
InChIKeyGZIXOXAKBJUONC-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl Benzylcarbamate
CID 4615331
Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, 1,1-dimethylethyl ester
CID 3039696
(Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester
CID 9997832
tert-butyl N-[benzenesulfonyl-(4-fluorophenyl)methyl]carbamate
CID 11152767
tert-butyl N-[benzenesulfonyl-(2-fluorophenyl)methyl]carbamate
CID 102481543
tert-butyl N-{[3-(chlorosulfonyl)phenyl]methyl}carbamate
CID 130114902
tert-butyl N-[benzenesulfonyl-(3-fluorophenyl)methyl]carbamate
CID 164687204
Tert-butyl (2-(3,5-difluorophenyl)-2-(phenylthio)ethyl)carbamate
CID 171661718
tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate
CID 6917587
CID 101792753
CID 101792753
N-Boc-2-(2,2,2-trifluoroethylsulfonyl)benzylamine
CID 22464486
N-Boc-2-(2,2,2-Trifluoroethylthio)benzylamine
CID 22464496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate (CID 141095560) is tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate is CCSc1cccc(CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate?
The InChIKey is GZIXOXAKBJUONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-5-18-12-8-6-7-11(9-12)10-15-13(16)17-14(2,3)4/h6-9H,5,10H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate?
tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate has a molecular weight of 267.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-ethylsulfanylphenyl)methyl]carbamate is sourced from PubChem (CID 141095560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).