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

C9H14N2O2S — CID 11063797

IUPACtert-butyl N-(4-aminothiophen-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cscc1N
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-7-5-14-4-6(7)10/h4-5H,10H2,1-3H3,(H,11,12)
InChIKeyJIAMDKAPNVGERK-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.68
Rot. Bonds1

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

tert-butyl N-(4-aminothiophen-3-yl)carbamate (PubChem CID 11063797) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is tert-butyl N-(4-aminothiophen-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminothiophen-3-yl)carbamate
PubChem CID11063797
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nametert-butyl N-(4-aminothiophen-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cscc1N
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-7-5-14-4-6(7)10/h4-5H,10H2,1-3H3,(H,11,12)
InChIKeyJIAMDKAPNVGERK-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(4-aminothiophen-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-aminothiophen-3-yl)carbamate;ethane
CID 123652484
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?
The IUPAC name of tert-butyl N-(4-aminothiophen-3-yl)carbamate (CID 11063797) is tert-butyl N-(4-aminothiophen-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-aminothiophen-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-aminothiophen-3-yl)carbamate is CC(C)(C)OC(=O)Nc1cscc1N.
What is the InChIKey of tert-butyl N-(4-aminothiophen-3-yl)carbamate?
The InChIKey is JIAMDKAPNVGERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-7-5-14-4-6(7)10/h4-5H,10H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(4-aminothiophen-3-yl)carbamate?
tert-butyl N-(4-aminothiophen-3-yl)carbamate has a molecular weight of 214.29 g/mol, XLogP of 2.68, 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 is sourced from PubChem (CID 11063797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).