2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide

C13H25N3S — CID 65498524

IUPAC2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCN(CCN1CCCC1)CC1(CC(N)=S)CC1
InChIInChI=1S/C13H25N3S/c1-15(8-9-16-6-2-3-7-16)11-13(4-5-13)10-12(14)17/h2-11H2,1H3,(H2,14,17)
InChIKeyOLOOEEIWODKHRF-UHFFFAOYSA-N
MW255.43 g/mol
LogP1.47
Rot. Bonds7

About 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide

2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide (PubChem CID 65498524) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide.

Molecular Properties

Compound Name2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide
PubChem CID65498524
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide
SMILESCN(CCN1CCCC1)CC1(CC(N)=S)CC1
InChIInChI=1S/C13H25N3S/c1-15(8-9-16-6-2-3-7-16)11-13(4-5-13)10-12(14)17/h2-11H2,1H3,(H2,14,17)
InChIKeyOLOOEEIWODKHRF-UHFFFAOYSA-N
XLogP1.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 51.47
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-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65495976
2-[1-[[3-methoxypropyl(methyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496818
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]oxan-4-amine
CID 113280976
2-[1-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanethioamide
CID 79381058
2-[1-[[bis(2-methylpropyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65495325
1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63211004
2-[1-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopropyl]ethanethioamide
CID 65496396
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 63207759
2-[1-(diethylaminomethyl)cyclopropyl]ethanethioamide
CID 65498282
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211209
1-carbamothioyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 63210907
2-[1-[[bis(2-methoxyethyl)amino]methyl]cyclopropyl]ethanethioamide
CID 65496597

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide?
The IUPAC name of 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide (CID 65498524) is 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide.
What is the SMILES notation for 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide?
The canonical SMILES for 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide is CN(CCN1CCCC1)CC1(CC(N)=S)CC1.
What is the InChIKey of 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide?
The InChIKey is OLOOEEIWODKHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-15(8-9-16-6-2-3-7-16)11-13(4-5-13)10-12(14)17/h2-11H2,1H3,(H2,14,17).
What are the key properties of 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide?
2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide has a molecular weight of 255.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopropyl]ethanethioamide is sourced from PubChem (CID 65498524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).