1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate

C9H12N2O3S — CID 170164487

IUPAC1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate
SMILESCC(OC(N)=O)c1cc(CC(N)=O)cs1
InChIInChI=1S/C9H12N2O3S/c1-5(14-9(11)13)7-2-6(4-15-7)3-8(10)12/h2,4-5H,3H2,1H3,(H2,10,12)(H2,11,13)
InChIKeyUPYIDHGAHKKSAK-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.93
Rot. Bonds4

About 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate

1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate (PubChem CID 170164487) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate.

Molecular Properties

Compound Name1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate
PubChem CID170164487
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate
SMILESCC(OC(N)=O)c1cc(CC(N)=O)cs1
InChIInChI=1S/C9H12N2O3S/c1-5(14-9(11)13)7-2-6(4-15-7)3-8(10)12/h2,4-5H,3H2,1H3,(H2,10,12)(H2,11,13)
InChIKeyUPYIDHGAHKKSAK-UHFFFAOYSA-N
XLogP0.93
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate?
The IUPAC name of 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate (CID 170164487) is 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate.
What is the SMILES notation for 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate?
The canonical SMILES for 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate is CC(OC(N)=O)c1cc(CC(N)=O)cs1.
What is the InChIKey of 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate?
The InChIKey is UPYIDHGAHKKSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5(14-9(11)13)7-2-6(4-15-7)3-8(10)12/h2,4-5H,3H2,1H3,(H2,10,12)(H2,11,13).
What are the key properties of 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate?
1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate has a molecular weight of 228.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-2-oxoethyl)thiophen-2-yl]ethyl carbamate is sourced from PubChem (CID 170164487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).