ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate

C9H14N2O2S — CID 170887907

IUPACethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1CCN
InChIInChI=1S/C9H14N2O2S/c1-2-13-9(12)11-7-4-6-14-8(7)3-5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyFSMVXZRYJBMNSG-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.82
Rot. Bonds4

About ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate

ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate (PubChem CID 170887907) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate
PubChem CID170887907
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1CCN
InChIInChI=1S/C9H14N2O2S/c1-2-13-9(12)11-7-4-6-14-8(7)3-5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyFSMVXZRYJBMNSG-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one
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ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate?
The IUPAC name of ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate (CID 170887907) is ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate is CCOC(=O)Nc1ccsc1CCN.
What is the InChIKey of ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate?
The InChIKey is FSMVXZRYJBMNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-13-9(12)11-7-4-6-14-8(7)3-5-10/h4,6H,2-3,5,10H2,1H3,(H,11,12).
What are the key properties of ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate?
ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate has a molecular weight of 214.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-aminoethyl)thiophen-3-yl]carbamate is sourced from PubChem (CID 170887907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).