tert-butyl N-(5-chlorothiophen-2-yl)carbamate

C9H12ClNO2S — CID 11601095

IUPACtert-butyl N-(5-chlorothiophen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12)
InChIKeySLZLJXFJTIAWMB-UHFFFAOYSA-N
MW233.72 g/mol
LogP3.75
Rot. Bonds1

About tert-butyl N-(5-chlorothiophen-2-yl)carbamate

tert-butyl N-(5-chlorothiophen-2-yl)carbamate (PubChem CID 11601095) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is tert-butyl N-(5-chlorothiophen-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chlorothiophen-2-yl)carbamate
PubChem CID11601095
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Nametert-butyl N-(5-chlorothiophen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12)
InChIKeySLZLJXFJTIAWMB-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-chlorothiophen-2-yl)-2,2-dimethylbutanamide
CID 115156873
tert-butyl N-[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]carbamate
CID 107239497
tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate
CID 155388751
tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
CID 71755375
tert-butyl N-[(2S)-1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]carbamate
CID 165468162
tert-butyl N-[5-[(5-chlorothiophen-2-yl)methylamino]-2-pyridinyl]carbamate
CID 103823865
tert-butyl N-(3-bromo-5-methylthiophen-2-yl)carbamate;tert-butyl N-(5-methylthiophen-2-yl)carbamate
CID 159564080
2-[(5-chlorothiophen-2-yl)amino]-2-methylpropanoic acid
CID 115127738
4-[(5-chlorothiophen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 115220996
tert-butyl N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239977
tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate
CID 131057383
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chlorothiophen-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-chlorothiophen-2-yl)carbamate (CID 11601095) is tert-butyl N-(5-chlorothiophen-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chlorothiophen-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-chlorothiophen-2-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Cl)s1.
What is the InChIKey of tert-butyl N-(5-chlorothiophen-2-yl)carbamate?
The InChIKey is SLZLJXFJTIAWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(5-chlorothiophen-2-yl)carbamate?
tert-butyl N-(5-chlorothiophen-2-yl)carbamate has a molecular weight of 233.72 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chlorothiophen-2-yl)carbamate is sourced from PubChem (CID 11601095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).