tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane

C16H23NO2S3 — CID 145352712

IUPACtert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NCc1ccc(Sc2cccs2)s1
InChIInChI=1S/C14H17NO2S3.C2H6/c1-14(2,3)17-13(16)15-9-10-6-7-12(19-10)20-11-5-4-8-18-11;1-2/h4-8H,9H2,1-3H3,(H,15,16);1-2H3
InChIKeyJBGMGFHNFYMEEG-UHFFFAOYSA-N
MW357.57 g/mol
LogP6.01
Rot. Bonds4

About tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane

tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane (PubChem CID 145352712) has the molecular formula C16H23NO2S3 and a molecular weight of 357.57 g/mol. Its IUPAC name is tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane
PubChem CID145352712
Molecular FormulaC16H23NO2S3
Molecular Weight357.57 g/mol
Exact Mass357.09
IUPAC Nametert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NCc1ccc(Sc2cccs2)s1
InChIInChI=1S/C14H17NO2S3.C2H6/c1-14(2,3)17-13(16)15-9-10-6-7-12(19-10)20-11-5-4-8-18-11;1-2/h4-8H,9H2,1-3H3,(H,15,16);1-2H3
InChIKeyJBGMGFHNFYMEEG-UHFFFAOYSA-N
XLogP6.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.57
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate
CID 130358403
tert-butyl N-[[5-(3-phenylphenyl)sulfanylthiophen-2-yl]methyl]carbamate
CID 130358256
tert-butyl N-[[5-(3-bromo-5-methylphenyl)sulfanylthiophen-2-yl]methyl]carbamate;ethane
CID 145352714
tert-butyl N-[[5-(3-ethyl-5-phenylphenyl)sulfanylthiophen-2-yl]methyl]carbamate
CID 130358548
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[[5-(3-bromo-5-methylsulfonylphenyl)sulfanylthiophen-2-yl]methyl]carbamate
CID 130358419
tert-butyl N-[[5-(2-bromoacetyl)thiophen-2-yl]methyl]carbamate
CID 168951135
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-[(E)-4-(thiophen-2-ylmethylamino)but-2-enyl]carbamate
CID 107253094
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750
tert-butyl N-[2-[[N-[(5-bromothiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111883485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane (CID 145352712) is tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane is CC.CC(C)(C)OC(=O)NCc1ccc(Sc2cccs2)s1.
What is the InChIKey of tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane?
The InChIKey is JBGMGFHNFYMEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S3.C2H6/c1-14(2,3)17-13(16)15-9-10-6-7-12(19-10)20-11-5-4-8-18-11;1-2/h4-8H,9H2,1-3H3,(H,15,16);1-2H3.
What are the key properties of tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane?
tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane has a molecular weight of 357.57 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-thiophen-2-ylsulfanylthiophen-2-yl)methyl]carbamate;ethane is sourced from PubChem (CID 145352712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).