2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide

C12H24N2OS — CID 65495975

IUPAC2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCCOCCN(CC)CC1(CC(N)=S)CC1
InChIInChI=1S/C12H24N2OS/c1-3-14(7-8-15-4-2)10-12(5-6-12)9-11(13)16/h3-10H2,1-2H3,(H2,13,16)
InChIKeyUKZDCBYTVYHWND-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.80
Rot. Bonds9

About 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65495975) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65495975
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCCOCCN(CC)CC1(CC(N)=S)CC1
InChIInChI=1S/C12H24N2OS/c1-3-14(7-8-15-4-2)10-12(5-6-12)9-11(13)16/h3-10H2,1-2H3,(H2,13,16)
InChIKeyUKZDCBYTVYHWND-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide (CID 65495975) is 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide is CCOCCN(CC)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is UKZDCBYTVYHWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-14(7-8-15-4-2)10-12(5-6-12)9-11(13)16/h3-10H2,1-2H3,(H2,13,16).
What are the key properties of 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 244.40 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65495975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).