tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate

C14H21NO2S — CID 139972373

IUPACtert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cccc(SC)c1
InChIInChI=1S/C14H21NO2S/c1-6-15(13(16)17-14(2,3)4)11-8-7-9-12(10-11)18-5/h7-10H,6H2,1-5H3
InChIKeyPSKQNVJZCPMFTN-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.17
Rot. Bonds3

About tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate

tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate (PubChem CID 139972373) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate
PubChem CID139972373
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)c1cccc(SC)c1
InChIInChI=1S/C14H21NO2S/c1-6-15(13(16)17-14(2,3)4)11-8-7-9-12(10-11)18-5/h7-10H,6H2,1-5H3
InChIKeyPSKQNVJZCPMFTN-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-ethyl-N-[4-(hydroxymethyl)phenyl]carbamate
CID 69212492
tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate
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2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino]acetic acid
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tert-butyl N-(3-ethenyl-2,2-dimethylchromen-7-yl)-N-ethylcarbamate
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tert-butyl N-amino-N-[3-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]carbamate
CID 70671905
2-[3-cyano-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
CID 22135068
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
tert-butyl 2-[4-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]-2-nitrobenzoyl]prop-2-enoate
CID 175271900
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
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3-(N-ethyl-3-methylsulfanylanilino)-2-methylpropanoic acid
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tert-butyl N-[2-(aminomethyl)phenyl]-N-ethylcarbamate
CID 70071054

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate (CID 139972373) is tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate is CCN(C(=O)OC(C)(C)C)c1cccc(SC)c1.
What is the InChIKey of tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate?
The InChIKey is PSKQNVJZCPMFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-6-15(13(16)17-14(2,3)4)11-8-7-9-12(10-11)18-5/h7-10H,6H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate?
tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate has a molecular weight of 267.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(3-methylsulfanylphenyl)carbamate is sourced from PubChem (CID 139972373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).