N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine

C10H19NO2S — CID 155891671

IUPACN-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine
SMILESC1COC(COCCNC2CSC2)C1
InChIInChI=1S/C10H19NO2S/c1-2-10(13-4-1)6-12-5-3-11-9-7-14-8-9/h9-11H,1-8H2
InChIKeyCBGIYJBXCKYOPV-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.89
Rot. Bonds6

About N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine

N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine (PubChem CID 155891671) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine
PubChem CID155891671
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine
SMILESC1COC(COCCNC2CSC2)C1
InChIInChI=1S/C10H19NO2S/c1-2-10(13-4-1)6-12-5-3-11-9-7-14-8-9/h9-11H,1-8H2
InChIKeyCBGIYJBXCKYOPV-UHFFFAOYSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dioxo-N-[2-(oxolan-2-ylmethoxy)ethyl]thiolan-3-amine
CID 62571099
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652
3-(cyclopropylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61275516
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
(2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97326400
N-[2-(oxolan-2-ylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 84588279
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]cyclohexan-1-amine
CID 43182518

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine?
The IUPAC name of N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine (CID 155891671) is N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine.
What is the SMILES notation for N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine?
The canonical SMILES for N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine is C1COC(COCCNC2CSC2)C1.
What is the InChIKey of N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine?
The InChIKey is CBGIYJBXCKYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-10(13-4-1)6-12-5-3-11-9-7-14-8-9/h9-11H,1-8H2.
What are the key properties of N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine?
N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethoxy)ethyl]thietan-3-amine is sourced from PubChem (CID 155891671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).