tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate

C14H22N2O2S — CID 134320079

IUPACtert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate
SMILESCCSc1cncc(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O2S/c1-5-19-12-8-11(9-15-10-12)6-7-16-13(17)18-14(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyVUDPLADLBQRIMZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.26
Rot. Bonds5

About tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate

tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate (PubChem CID 134320079) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate
PubChem CID134320079
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nametert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate
SMILESCCSc1cncc(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O2S/c1-5-19-12-8-11(9-15-10-12)6-7-16-13(17)18-14(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,17)
InChIKeyVUDPLADLBQRIMZ-UHFFFAOYSA-N
XLogP3.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(5-amino-3-pyridinyl)propyl]carbamate
CID 122510246
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tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
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tert-butyl N-(2-phenylethyl)carbamate;ethane
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tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
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tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
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tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate
CID 86697210
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
tert-butyl N-[2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 103740122
tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate
CID 142596019
methyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-pyridinyl]acetate
CID 141413882
tert-butyl N-[2-(3-bromo-4-chlorophenyl)ethyl]carbamate
CID 68945213

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate (CID 134320079) is tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate is CCSc1cncc(CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate?
The InChIKey is VUDPLADLBQRIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-5-19-12-8-11(9-15-10-12)6-7-16-13(17)18-14(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate?
tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate has a molecular weight of 282.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-ethylsulfanyl-3-pyridinyl)ethyl]carbamate is sourced from PubChem (CID 134320079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).