2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate

C10H20N2O2S — CID 97060416

IUPAC2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate
SMILES[H]/N=C(/SCCOC[C@H]1CCCO1)N(C)C
InChIInChI=1S/C10H20N2O2S/c1-12(2)10(11)15-7-6-13-8-9-4-3-5-14-9/h9,11H,3-8H2,1-2H3/b11-10+/t9-/m1/s1
InChIKeyOOGVQYLYOOUZBH-HNLKAFMCSA-N
MW232.35 g/mol
LogP1.41
Rot. Bonds5

About 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate

2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate (PubChem CID 97060416) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate
PubChem CID97060416
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate
SMILES[H]/N=C(/SCCOC[C@H]1CCCO1)N(C)C
InChIInChI=1S/C10H20N2O2S/c1-12(2)10(11)15-7-6-13-8-9-4-3-5-14-9/h9,11H,3-8H2,1-2H3/b11-10+/t9-/m1/s1
InChIKeyOOGVQYLYOOUZBH-HNLKAFMCSA-N
XLogP1.41
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111036016
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
oxolan-2-ylmethyl ethanimidate
CID 123698253
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
6-(oxolan-2-ylmethoxy)hexan-3-one
CID 106801896
1-cyclopropyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 110029628
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide
CID 111907229
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
N-methyl-3-(oxolan-2-ylmethoxy)-N-piperidin-4-ylpropanamide
CID 119441358

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate (CID 97060416) is 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate is [H]/N=C(/SCCOC[C@H]1CCCO1)N(C)C.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate?
The InChIKey is OOGVQYLYOOUZBH-HNLKAFMCSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-12(2)10(11)15-7-6-13-8-9-4-3-5-14-9/h9,11H,3-8H2,1-2H3/b11-10+/t9-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate?
2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate has a molecular weight of 232.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methoxy]ethyl N,N-dimethylcarbamimidothioate is sourced from PubChem (CID 97060416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).