ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate

C12H18N2O3S — CID 38402878

IUPACethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate
SMILESCCOC(=O)NCCC(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-3-17-12(16)13-7-6-11(15)14-9(2)10-5-4-8-18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyUYULWEIKCCESBE-VIFPVBQESA-N
MW270.35 g/mol
LogP2.06
Rot. Bonds6

About ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate

ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate (PubChem CID 38402878) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate
PubChem CID38402878
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate
SMILESCCOC(=O)NCCC(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C12H18N2O3S/c1-3-17-12(16)13-7-6-11(15)14-9(2)10-5-4-8-18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyUYULWEIKCCESBE-VIFPVBQESA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate with MolForge

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Related Compounds

Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
2,4-dimethylpentan-3-yl N-[(3S)-5-methyl-1,2-dioxo-1-(thiophen-2-ylmethylamino)hexan-3-yl]carbamate
CID 11188663
{(S)-1-Methyl-2-oxo-2-[(thiophen-2-ylmethyl)-carbamoyl]-ethyl}-carbamic acid 1-isopropyl-2-methyl-propyl ester
CID 11256746
2,4-dimethylpentan-3-yl N-[(3S)-4-methyl-1,2-dioxo-1-(thiophen-2-ylmethylamino)pentan-3-yl]carbamate
CID 11280517
2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-(thiophen-2-ylmethylamino)heptan-3-yl]carbamate
CID 11406824
2,4-dimethylpentan-3-yl N-[(3S)-4-methyl-1,2-dioxo-1-(thiophen-2-ylmethylamino)hexan-3-yl]carbamate
CID 44370493
ethyl 4-[(2-thienylcarbonyl)amino]tetrahydro-1(2H)-pyridinecarboxylate
CID 2815503
4-{2-[(Thiophene-2-carbonyl)-amino]-ethylamino}-piperidine-1-carboxylic acid ethyl ester
CID 647412
(S)-tert-butyl 1,2-dioxo-1-(thiophen-2-ylmethylamino)heptan-3-ylcarbamate
CID 44375810
N-[(thiophen-2-yl)methyl]butanamide
CID 4117885
N-[2-(4-morpholinyl)-2-(2-thienyl)ethyl]propanamide
CID 2998106

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate?
The IUPAC name of ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate (CID 38402878) is ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate.
What is the SMILES notation for ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate?
The canonical SMILES for ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate is CCOC(=O)NCCC(=O)N[C@@H](C)c1cccs1.
What is the InChIKey of ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate?
The InChIKey is UYULWEIKCCESBE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-17-12(16)13-7-6-11(15)14-9(2)10-5-4-8-18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,16)(H,14,15)/t9-/m0/s1.
What are the key properties of ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate?
ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate has a molecular weight of 270.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate is sourced from PubChem (CID 38402878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).