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

C13H24N2OS — CID 65497652

IUPAC2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCCN(CC1CCCO1)CC1(CC(N)=S)CC1
InChIInChI=1S/C13H24N2OS/c1-2-15(9-11-4-3-7-16-11)10-13(5-6-13)8-12(14)17/h11H,2-10H2,1H3,(H2,14,17)
InChIKeyUGPHIDWORXNDER-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.94
Rot. Bonds7

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

2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65497652) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65497652
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCCN(CC1CCCO1)CC1(CC(N)=S)CC1
InChIInChI=1S/C13H24N2OS/c1-2-15(9-11-4-3-7-16-11)10-13(5-6-13)8-12(14)17/h11H,2-10H2,1H3,(H2,14,17)
InChIKeyUGPHIDWORXNDER-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
CID 65498282
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 65002423
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55055994
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62256933
N-[[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62256935
N-[[3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 55056042
2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
CID 65161112
5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
CID 65260037
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 55037680
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80590245
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79207174
2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 61434361

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide (CID 65497652) is 2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide is CCN(CC1CCCO1)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is UGPHIDWORXNDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-15(9-11-4-3-7-16-11)10-13(5-6-13)8-12(14)17/h11H,2-10H2,1H3,(H2,14,17).
What are the key properties of 2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 256.41 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65497652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).