tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate

C12H19NO2S — CID 122608960

IUPACtert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate
SMILESCCc1cc(CNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C12H19NO2S/c1-5-10-6-9(8-16-10)7-13-11(14)15-12(2,3)4/h6,8H,5,7H2,1-4H3,(H,13,14)
InChIKeyPNXSHCLSLPZGEI-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate

tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate (PubChem CID 122608960) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate
PubChem CID122608960
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nametert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate
SMILESCCc1cc(CNC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C12H19NO2S/c1-5-10-6-9(8-16-10)7-13-11(14)15-12(2,3)4/h6,8H,5,7H2,1-4H3,(H,13,14)
InChIKeyPNXSHCLSLPZGEI-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]acetic acid
CID 23330347
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 158874937
tert-butyl N-[(E)-4-[(4-carbamoylthiophen-2-yl)methylamino]but-2-enyl]carbamate
CID 107252829
tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
CID 20610080
tert-butyl N-[3-[(4-carbamoylthiophen-2-yl)methylamino]propyl]carbamate
CID 103801906
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate
CID 19698379
tert-butyl N-[(5-bromothiophen-3-yl)methylamino]carbamate
CID 107237228

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate (CID 122608960) is tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate is CCc1cc(CNC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate?
The InChIKey is PNXSHCLSLPZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-5-10-6-9(8-16-10)7-13-11(14)15-12(2,3)4/h6,8H,5,7H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate?
tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate has a molecular weight of 241.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate is sourced from PubChem (CID 122608960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).