2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate

C11H15NO3S — CID 70634885

IUPAC2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate
SMILESCC(C)COC(=O)NCC(=O)c1cccs1
InChIInChI=1S/C11H15NO3S/c1-8(2)7-15-11(14)12-6-9(13)10-4-3-5-16-10/h3-5,8H,6-7H2,1-2H3,(H,12,14)
InChIKeySJNNPFXFZKPZRT-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.31
Rot. Bonds5

About 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate

2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate (PubChem CID 70634885) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate
PubChem CID70634885
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate
SMILESCC(C)COC(=O)NCC(=O)c1cccs1
InChIInChI=1S/C11H15NO3S/c1-8(2)7-15-11(14)12-6-9(13)10-4-3-5-16-10/h3-5,8H,6-7H2,1-2H3,(H,12,14)
InChIKeySJNNPFXFZKPZRT-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
CID 94259803
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2-methylpropyl N-(2,2-dimethyl-1-thiophen-2-ylpropylidene)carbamate
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2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone
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N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one
CID 91401022
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
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N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
CID 82040114

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate?
The IUPAC name of 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate (CID 70634885) is 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate is CC(C)COC(=O)NCC(=O)c1cccs1.
What is the InChIKey of 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate?
The InChIKey is SJNNPFXFZKPZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(2)7-15-11(14)12-6-9(13)10-4-3-5-16-10/h3-5,8H,6-7H2,1-2H3,(H,12,14).
What are the key properties of 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate?
2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate has a molecular weight of 241.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate is sourced from PubChem (CID 70634885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).