(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate

C11H15NO3S — CID 2799233

IUPAC(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate
SMILESCC(=O)C(C)(C)OC(=O)NCc1cccs1
InChIInChI=1S/C11H15NO3S/c1-8(13)11(2,3)15-10(14)12-7-9-5-4-6-16-9/h4-6H,7H2,1-3H3,(H,12,14)
InChIKeyACCPETBMTXYDDD-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.34
Rot. Bonds4

About (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate

(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate (PubChem CID 2799233) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate
PubChem CID2799233
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate
SMILESCC(=O)C(C)(C)OC(=O)NCc1cccs1
InChIInChI=1S/C11H15NO3S/c1-8(13)11(2,3)15-10(14)12-7-9-5-4-6-16-9/h4-6H,7H2,1-3H3,(H,12,14)
InChIKeyACCPETBMTXYDDD-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.34
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 N-[(4-bromothiophen-2-yl)methyl]carbamate
CID 46739291
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
(5-(((tert-Butoxycarbonyl)amino)methyl)thiophen-2-yl)boronic acid
CID 46738981
tert-butyl N-[(3-fluorothiophen-2-yl)methyl]carbamate
CID 130358243
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-[2,2-difluoro-3-[(3-methylthiophen-2-yl)methylamino]propyl]carbamate
CID 104954043
tert-butyl N-[2,2-difluoro-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 104954073

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate (CID 2799233) is (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate is CC(=O)C(C)(C)OC(=O)NCc1cccs1.
What is the InChIKey of (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is ACCPETBMTXYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(13)11(2,3)15-10(14)12-7-9-5-4-6-16-9/h4-6H,7H2,1-3H3,(H,12,14).
What are the key properties of (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate?
(2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 241.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-oxobutan-2-yl) N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 2799233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).