ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one

C11H18N2O3S — CID 16640233

IUPACethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one
SMILESCC(C)=O.CCOC(=O)Nc1ccsc1NC
InChIInChI=1S/C8H12N2O2S.C3H6O/c1-3-12-8(11)10-6-4-5-13-7(6)9-2;1-3(2)4/h4-5,9H,3H2,1-2H3,(H,10,11);1-2H3
InChIKeySHYMCHLYEYYHJD-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.95
Rot. Bonds3

About ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one

ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one (PubChem CID 16640233) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one.

Molecular Properties

Compound Nameethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one
PubChem CID16640233
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Nameethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one
SMILESCC(C)=O.CCOC(=O)Nc1ccsc1NC
InChIInChI=1S/C8H12N2O2S.C3H6O/c1-3-12-8(11)10-6-4-5-13-7(6)9-2;1-3(2)4/h4-5,9H,3H2,1-2H3,(H,10,11);1-2H3
InChIKeySHYMCHLYEYYHJD-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate
CID 12669237
ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate
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ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate
CID 13103674
ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate
CID 170887907
ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate
CID 170891135
ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate
CID 170888901
ethyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115257254
ethyl N-[2-hydroxy-4-(methylamino)phenyl]carbamate
CID 70037110
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
CID 14948425
ethyl 3-[(3-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 115138478
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one?
The IUPAC name of ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one (CID 16640233) is ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one.
What is the SMILES notation for ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one?
The canonical SMILES for ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one is CC(C)=O.CCOC(=O)Nc1ccsc1NC.
What is the InChIKey of ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one?
The InChIKey is SHYMCHLYEYYHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.C3H6O/c1-3-12-8(11)10-6-4-5-13-7(6)9-2;1-3(2)4/h4-5,9H,3H2,1-2H3,(H,10,11);1-2H3.
What are the key properties of ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one?
ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one has a molecular weight of 258.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one is sourced from PubChem (CID 16640233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).