N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine

C10H19NO2S — CID 82239487

IUPACN-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine
SMILESCCC1(CNC2CC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-2-10(7-11-9-3-4-9)5-6-14(12,13)8-10/h9,11H,2-8H2,1H3
InChIKeyQNJSVGMTYJDAHN-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.95
Rot. Bonds4

About N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine

N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine (PubChem CID 82239487) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine
PubChem CID82239487
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine
SMILESCCC1(CNC2CC2)CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-2-10(7-11-9-3-4-9)5-6-14(12,13)8-10/h9,11H,2-8H2,1H3
InChIKeyQNJSVGMTYJDAHN-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63143321
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine
CID 114107440
N-[(1-octylcyclopentyl)methyl]cyclopropanamine
CID 63509236
N-[(1-ethylcyclopentyl)methyl]-3-methylcyclobutan-1-amine
CID 104859882
N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63143322
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106729855
N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine
CID 115003005
N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine
CID 55106931
N-[(1-ethylcyclopentyl)methyl]thian-3-amine
CID 115882236
2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65495614
1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 54937546
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-1,1-dioxothian-4-amine
CID 131065113

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine (CID 82239487) is N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine is CCC1(CNC2CC2)CCS(=O)(=O)C1.
What is the InChIKey of N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine?
The InChIKey is QNJSVGMTYJDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-10(7-11-9-3-4-9)5-6-14(12,13)8-10/h9,11H,2-8H2,1H3.
What are the key properties of N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine?
N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine has a molecular weight of 217.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,1-dioxothiolan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 82239487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).