N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide

C13H20N2OS — CID 81408188

IUPACN-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
SMILESCCN(C(=O)CN[C@H](C)c1cccs1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-3-15(11-6-7-11)13(16)9-14-10(2)12-5-4-8-17-12/h4-5,8,10-11,14H,3,6-7,9H2,1-2H3/t10-/m1/s1
InChIKeyHOTQHQULSWMEDN-SNVBAGLBSA-N
MW252.38 g/mol
LogP2.41
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide

N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide (PubChem CID 81408188) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
PubChem CID81408188
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
SMILESCCN(C(=O)CN[C@H](C)c1cccs1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-3-15(11-6-7-11)13(16)9-14-10(2)12-5-4-8-17-12/h4-5,8,10-11,14H,3,6-7,9H2,1-2H3/t10-/m1/s1
InChIKeyHOTQHQULSWMEDN-SNVBAGLBSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-propan-2-yl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81408875
N-cyclopropyl-N-ethyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60969214
N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
ethyl 2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]prop-2-enoate
CID 103257818
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]prop-2-enoic acid
CID 103257806
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
N'-(4-ethylcyclohexyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556346
ethyl 4-hydroxy-4-[(1-thiophen-2-ylethylamino)methyl]cyclohexane-1-carboxylate
CID 106499131
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 81409137
2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408877

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide (CID 81408188) is N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide is CCN(C(=O)CN[C@H](C)c1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide?
The InChIKey is HOTQHQULSWMEDN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-15(11-6-7-11)13(16)9-14-10(2)12-5-4-8-17-12/h4-5,8,10-11,14H,3,6-7,9H2,1-2H3/t10-/m1/s1.
What are the key properties of N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide?
N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide has a molecular weight of 252.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide is sourced from PubChem (CID 81408188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).