2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide

C12H24N2O2S — CID 65496597

IUPAC2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCOCCN(CCOC)CC1(CC(N)=S)CC1
InChIInChI=1S/C12H24N2O2S/c1-15-7-5-14(6-8-16-2)10-12(3-4-12)9-11(13)17/h3-10H2,1-2H3,(H2,13,17)
InChIKeyOSLPXQFIJPNNKF-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.04
Rot. Bonds10

About 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65496597) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65496597
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCOCCN(CCOC)CC1(CC(N)=S)CC1
InChIInChI=1S/C12H24N2O2S/c1-15-7-5-14(6-8-16-2)10-12(3-4-12)9-11(13)17/h3-10H2,1-2H3,(H2,13,17)
InChIKeyOSLPXQFIJPNNKF-UHFFFAOYSA-N
XLogP1.04
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498299
2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496818
2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
CID 65498282
2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65495325
2-[1-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65495976
2-[1-[[butan-2-yl(butyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498090
N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65009847
2-[1-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanethioamide
CID 79381058
2-[1-(hydroxymethyl)cyclopropyl]ethanethioamide
CID 65498550
2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65498524
N-[[1-(bromomethyl)cycloheptyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65010281
4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide (CID 65496597) is 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide is COCCN(CCOC)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is OSLPXQFIJPNNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-15-7-5-14(6-8-16-2)10-12(3-4-12)9-11(13)17/h3-10H2,1-2H3,(H2,13,17).
What are the key properties of 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 260.40 g/mol, XLogP of 1.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65496597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).