ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine

C24H57N3S — CID 176927828

IUPACethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine
SMILESCC.CC.CC.CC(C)N1CCSCC1.CCC1CCCN1.CCC1CCN1
InChIInChI=1S/C7H15NS.C6H13N.C5H11N.3C2H6/c1-7(2)8-3-5-9-6-4-8;1-2-6-4-3-5-7-6;1-2-5-3-4-6-5;3*1-2/h7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;3*1-2H3
InChIKeyFCEOCWVZZYLKCB-UHFFFAOYSA-N
MW419.81 g/mol
LogP6.43
Rot. Bonds3

About ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine

ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine (PubChem CID 176927828) has the molecular formula C24H57N3S and a molecular weight of 419.81 g/mol. Its IUPAC name is ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Nameethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine
PubChem CID176927828
Molecular FormulaC24H57N3S
Molecular Weight419.81 g/mol
Exact Mass419.43
IUPAC Nameethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine
SMILESCC.CC.CC.CC(C)N1CCSCC1.CCC1CCCN1.CCC1CCN1
InChIInChI=1S/C7H15NS.C6H13N.C5H11N.3C2H6/c1-7(2)8-3-5-9-6-4-8;1-2-6-4-3-5-7-6;1-2-5-3-4-6-5;3*1-2/h7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;3*1-2H3
InChIKeyFCEOCWVZZYLKCB-UHFFFAOYSA-N
XLogP6.43
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.81
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-ethylsulfonyl-4-(pyrrolidin-2-ylmethylsulfonyl)thiomorpholine
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4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
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2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 43585502
8-ethyl-1,7-diazacyclopentadecane
CID 123357765
4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine
CID 114430708
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
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CID 143192100

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine?
The IUPAC name of ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine (CID 176927828) is ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine.
What is the SMILES notation for ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine?
The canonical SMILES for ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine is CC.CC.CC.CC(C)N1CCSCC1.CCC1CCCN1.CCC1CCN1.
What is the InChIKey of ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine?
The InChIKey is FCEOCWVZZYLKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.C6H13N.C5H11N.3C2H6/c1-7(2)8-3-5-9-6-4-8;1-2-6-4-3-5-7-6;1-2-5-3-4-6-5;3*1-2/h7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;5-6H,2-4H2,1H3;3*1-2H3.
What are the key properties of ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine?
ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine has a molecular weight of 419.81 g/mol, XLogP of 6.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine is sourced from PubChem (CID 176927828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).