tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate

C13H20N2O2S — CID 170487837

IUPACtert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C=CCCN)cs1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-11-8-10(9-18-11)6-4-5-7-14/h4,6,8-9H,5,7,14H2,1-3H3,(H,15,16)
InChIKeyRUGHKNWJISDIBV-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.46
Rot. Bonds4

About tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate

tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate (PubChem CID 170487837) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate
PubChem CID170487837
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nametert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C=CCCN)cs1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-11-8-10(9-18-11)6-4-5-7-14/h4,6,8-9H,5,7,14H2,1-3H3,(H,15,16)
InChIKeyRUGHKNWJISDIBV-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(4-oxobut-1-enyl)thiophen-2-yl]carbamate
CID 170482783
ethyl 4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]but-3-enoate
CID 170797068
1-[4-(4-aminobut-1-enyl)thiophen-2-yl]ethanone
CID 170486563
ethyl 2,3-dihydroxy-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]propanoate
CID 171867065
tert-butyl N-[(Z)-5-aminopent-2-enyl]carbamate
CID 140618813
2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]thiophen-2-yl]acetic acid
CID 169467331
tert-butyl N-[2-fluoro-4-(4-sulfanylbut-1-enyl)phenyl]carbamate
CID 170479329
tert-butyl N-[4-(2,6-difluoro-4-pyridinyl)but-3-enyl]carbamate
CID 170491540
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzene-1,3-dicarboxylic acid
CID 170491283
tert-butyl N-[2-fluoro-4-(3-hydroxyprop-1-enyl)phenyl]carbamate
CID 169454209
tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
CID 71755375

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate (CID 170487837) is tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate is CC(C)(C)OC(=O)Nc1cc(C=CCCN)cs1.
What is the InChIKey of tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate?
The InChIKey is RUGHKNWJISDIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-11-8-10(9-18-11)6-4-5-7-14/h4,6,8-9H,5,7,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate?
tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate has a molecular weight of 268.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-aminobut-1-enyl)thiophen-2-yl]carbamate is sourced from PubChem (CID 170487837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).