2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide

C10H20N2S — CID 65498282

IUPAC2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
SMILESCCN(CC)CC1(CC(N)=S)CC1
InChIInChI=1S/C10H20N2S/c1-3-12(4-2)8-10(5-6-10)7-9(11)13/h3-8H2,1-2H3,(H2,11,13)
InChIKeyDTFHIWUMKOBVEM-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.78
Rot. Bonds6

About 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide

2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide (PubChem CID 65498282) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
PubChem CID65498282
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
SMILESCCN(CC)CC1(CC(N)=S)CC1
InChIInChI=1S/C10H20N2S/c1-3-12(4-2)8-10(5-6-10)7-9(11)13/h3-8H2,1-2H3,(H2,11,13)
InChIKeyDTFHIWUMKOBVEM-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65495753
2-[1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496180
2-[1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496181
2-[1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65497649
2-[1-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65538169
2-[1-[[2,2-Difluoroethyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
CID 116315125
5-(4,4-Diethylpiperidin-1-yl)pentanethioamide
CID 55166219
4-[Ethyl(2-ethylbutyl)amino]butanethioamide
CID 61436726
3-[3,3-Dimethylbutyl(methyl)amino]propanethioamide
CID 61481344
5-[Cyclopropylmethyl(propyl)amino]pentanethioamide
CID 61522215
5-[Cyclopropylmethyl(methyl)amino]pentanethioamide
CID 61522385
5-[Methyl(2-methylbutyl)amino]pentanethioamide
CID 61522624

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide (CID 65498282) is 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide is CCN(CC)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide?
The InChIKey is DTFHIWUMKOBVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-12(4-2)8-10(5-6-10)7-9(11)13/h3-8H2,1-2H3,(H2,11,13).
What are the key properties of 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide?
2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide has a molecular weight of 200.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide is sourced from PubChem (CID 65498282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).