tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate

C11H14N2O2S — CID 18506747

IUPACtert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C#N)s1
InChIInChI=1S/C11H14N2O2S/c1-11(2,3)15-10(14)13-7-9-5-4-8(6-12)16-9/h4-5H,7H2,1-3H3,(H,13,14)
InChIKeyDXUXBZDPVIIKBO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.64
Rot. Bonds2

About tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate

tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate (PubChem CID 18506747) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate
PubChem CID18506747
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Nametert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C#N)s1
InChIInChI=1S/C11H14N2O2S/c1-11(2,3)15-10(14)13-7-9-5-4-8(6-12)16-9/h4-5H,7H2,1-3H3,(H,13,14)
InChIKeyDXUXBZDPVIIKBO-UHFFFAOYSA-N
XLogP2.64
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
tert-Butyl ((5-bromothiophen-2-yl)methyl)carbamate
CID 2779810
(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate
CID 2799233
(5-(((tert-Butoxycarbonyl)amino)methyl)thiophen-2-yl)boronic acid
CID 46738981
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
CID 130358243
tert-butyl N-[(4-cyano-5-fluoro-2-thienyl)methyl]carbamate
CID 163226061
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
tert-butyl N-[cyano(thiophen-2-yl)methyl]carbamate
CID 11333876
tert-butyl N-[(2-prop-2-enylthiophen-3-yl)methyl]carbamate
CID 72695914
tert-butyl N-[thiophen-2-yl(tributylstannyl)methyl]carbamate
CID 134944576
tert-butyl N-[(1S)-1-thiophen-2-ylbutyl]carbamate
CID 134949716
tert-butyl N-[(E)-3-(5-methylthiophen-2-yl)prop-2-enyl]carbamate
CID 176429334

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate (CID 18506747) is tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C#N)s1.
What is the InChIKey of tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate?
The InChIKey is DXUXBZDPVIIKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-11(2,3)15-10(14)13-7-9-5-4-8(6-12)16-9/h4-5H,7H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate?
tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate has a molecular weight of 238.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 18506747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).