ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate

C13H21NO2S — CID 151803248

IUPACethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate
SMILESCCOC(=O)Nc1scc(C(C)C)c1C(C)C
InChIInChI=1S/C13H21NO2S/c1-6-16-13(15)14-12-11(9(4)5)10(7-17-12)8(2)3/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyRZBGFGSSZNCIAV-UHFFFAOYSA-N
MW255.38 g/mol
LogP4.56
Rot. Bonds4

About ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate

ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate (PubChem CID 151803248) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate
PubChem CID151803248
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Nameethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate
SMILESCCOC(=O)Nc1scc(C(C)C)c1C(C)C
InChIInChI=1S/C13H21NO2S/c1-6-16-13(15)14-12-11(9(4)5)10(7-17-12)8(2)3/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyRZBGFGSSZNCIAV-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(diethylcarbamothioylamino)-4-propan-2-ylthiophene-3-carboxylate
CID 10830161
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate
CID 170891135
ethyl 2-(methoxycarbonylamino)-4-methylthiophene-3-carboxylate
CID 59636673
ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one
CID 16640233
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
CID 14948425
ethyl N-(5-chlorothiophen-3-yl)carbamate
CID 130708506
ethyl 4-(4-chlorophenyl)-2-(ethoxycarbonylamino)thiophene-3-carboxylate
CID 1291533
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
CID 62838371
ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate
CID 170888901

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate?
The IUPAC name of ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate (CID 151803248) is ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate.
What is the SMILES notation for ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate?
The canonical SMILES for ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate is CCOC(=O)Nc1scc(C(C)C)c1C(C)C.
What is the InChIKey of ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate?
The InChIKey is RZBGFGSSZNCIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-6-16-13(15)14-12-11(9(4)5)10(7-17-12)8(2)3/h7-9H,6H2,1-5H3,(H,14,15).
What are the key properties of ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate?
ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate has a molecular weight of 255.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate is sourced from PubChem (CID 151803248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).