tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane

C11H20N2O2S — CID 123652484

IUPACtert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)Nc1cscc1N
InChIInChI=1S/C9H14N2O2S.C2H6/c1-9(2,3)13-8(12)11-7-5-14-4-6(7)10;1-2/h4-5H,10H2,1-3H3,(H,11,12);1-2H3
InChIKeyDLZSSCABWQXSHE-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.70
Rot. Bonds1

About tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane

tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane (PubChem CID 123652484) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
PubChem CID123652484
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Nametert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)Nc1cscc1N
InChIInChI=1S/C9H14N2O2S.C2H6/c1-9(2,3)13-8(12)11-7-5-14-4-6(7)10;1-2/h4-5H,10H2,1-3H3,(H,11,12);1-2H3
InChIKeyDLZSSCABWQXSHE-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-aminothiophen-3-yl)carbamate
CID 11063797
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]acetate
CID 25113890
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-(4-butan-2-ylthiophen-3-yl)carbamate
CID 114749404
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl N-[2-amino-4-(5-methylthiophen-2-yl)phenyl]carbamate
CID 66619507
tert-butyl N-thiophen-3-ylcarbamate
CID 736476
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane?
The IUPAC name of tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane (CID 123652484) is tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane is CC.CC(C)(C)OC(=O)Nc1cscc1N.
What is the InChIKey of tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane?
The InChIKey is DLZSSCABWQXSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.C2H6/c1-9(2,3)13-8(12)11-7-5-14-4-6(7)10;1-2/h4-5H,10H2,1-3H3,(H,11,12);1-2H3.
What are the key properties of tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane?
tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane has a molecular weight of 244.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane is sourced from PubChem (CID 123652484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).