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

C11H18N2O2S — CID 170888901

IUPACethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1CC(N)CC
InChIInChI=1S/C11H18N2O2S/c1-3-8(12)7-10-9(5-6-16-10)13-11(14)15-4-2/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,14)
InChIKeyYLJHXFIEVYVWAF-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.60
Rot. Bonds5

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

ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate (PubChem CID 170888901) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate
PubChem CID170888901
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate
SMILESCCOC(=O)Nc1ccsc1CC(N)CC
InChIInChI=1S/C11H18N2O2S/c1-3-8(12)7-10-9(5-6-16-10)13-11(14)15-4-2/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,14)
InChIKeyYLJHXFIEVYVWAF-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate?
The IUPAC name of ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate (CID 170888901) is ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate is CCOC(=O)Nc1ccsc1CC(N)CC.
What is the InChIKey of ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate?
The InChIKey is YLJHXFIEVYVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-8(12)7-10-9(5-6-16-10)13-11(14)15-4-2/h5-6,8H,3-4,7,12H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate?
ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate has a molecular weight of 242.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-aminobutyl)thiophen-3-yl]carbamate is sourced from PubChem (CID 170888901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).