tert-butyl N-thiophen-3-ylcarbamate

C9H13NO2S — CID 736476

IUPACtert-butyl N-thiophen-3-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h4-6H,1-3H3,(H,10,11)
InChIKeyPRWYQCYSADTIBZ-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.10
Rot. Bonds1

About tert-butyl N-thiophen-3-ylcarbamate

tert-butyl N-thiophen-3-ylcarbamate (PubChem CID 736476) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is tert-butyl N-thiophen-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-thiophen-3-ylcarbamate
PubChem CID736476
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Nametert-butyl N-thiophen-3-ylcarbamate
SMILESCC(C)(C)OC(=O)Nc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h4-6H,1-3H3,(H,10,11)
InChIKeyPRWYQCYSADTIBZ-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(3-thiophen-3-ylphenyl)carbamate
CID 7176355
tert-butyl N-[4-[(thiophen-3-ylmethylamino)methyl]phenyl]carbamate
CID 107239520
2-methoxy-2-methyl-N-thiophen-3-ylpropanamide
CID 103678845
2-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylacetamide
CID 112605491
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide
CID 66354566
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-cyclopenta[b]thiopyran-6-ylcarbamate
CID 174948003
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 58718154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-thiophen-3-ylcarbamate?
The IUPAC name of tert-butyl N-thiophen-3-ylcarbamate (CID 736476) is tert-butyl N-thiophen-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-thiophen-3-ylcarbamate?
The canonical SMILES for tert-butyl N-thiophen-3-ylcarbamate is CC(C)(C)OC(=O)Nc1ccsc1.
What is the InChIKey of tert-butyl N-thiophen-3-ylcarbamate?
The InChIKey is PRWYQCYSADTIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h4-6H,1-3H3,(H,10,11).
What are the key properties of tert-butyl N-thiophen-3-ylcarbamate?
tert-butyl N-thiophen-3-ylcarbamate has a molecular weight of 199.28 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-thiophen-3-ylcarbamate is sourced from PubChem (CID 736476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).