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

C10H16N2O2S — CID 170891135

IUPACethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1CC(C)N
InChIInChI=1S/C10H16N2O2S/c1-3-14-10(13)12-8-4-5-15-9(8)6-7(2)11/h4-5,7H,3,6,11H2,1-2H3,(H,12,13)
InChIKeyNONSEWODHQZASF-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.21
Rot. Bonds4

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

ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate (PubChem CID 170891135) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate
PubChem CID170891135
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1CC(C)N
InChIInChI=1S/C10H16N2O2S/c1-3-14-10(13)12-8-4-5-15-9(8)6-7(2)11/h4-5,7H,3,6,11H2,1-2H3,(H,12,13)
InChIKeyNONSEWODHQZASF-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 170888901
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ethyl N-[2-(methylamino)thiophen-3-yl]carbamate;propan-2-one
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ethyl N-(2-pyrrol-1-ylthiophen-3-yl)carbamate
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ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate
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(2S)-1-(3-ethylthiophen-2-yl)propan-2-amine
CID 96850699
ethyl N-[5-(ethoxycarbonylamino)thiophen-2-yl]carbamate
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ethyl N-[3,4-di(propan-2-yl)thiophen-2-yl]carbamate
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ethyl N-(2-anilinophenyl)carbamate
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CID 14690244

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate?
The IUPAC name of ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate (CID 170891135) is ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate is CCOC(=O)Nc1ccsc1CC(C)N.
What is the InChIKey of ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate?
The InChIKey is NONSEWODHQZASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-14-10(13)12-8-4-5-15-9(8)6-7(2)11/h4-5,7H,3,6,11H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate?
ethyl N-[2-(2-aminopropyl)thiophen-3-yl]carbamate has a molecular weight of 228.32 g/mol, XLogP of 2.21, 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-aminopropyl)thiophen-3-yl]carbamate is sourced from PubChem (CID 170891135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).