ethane;3-methyl-4-propylthiomorpholine

C10H23NS — CID 143432613

IUPACethane;3-methyl-4-propylthiomorpholine
SMILESCC.CCCN1CCSCC1C
InChIInChI=1S/C8H17NS.C2H6/c1-3-4-9-5-6-10-7-8(9)2;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyVZXRVWDRJZOXFE-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.86
Rot. Bonds2

About ethane;3-methyl-4-propylthiomorpholine

ethane;3-methyl-4-propylthiomorpholine (PubChem CID 143432613) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is ethane;3-methyl-4-propylthiomorpholine.

Molecular Properties

Compound Nameethane;3-methyl-4-propylthiomorpholine
PubChem CID143432613
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Nameethane;3-methyl-4-propylthiomorpholine
SMILESCC.CCCN1CCSCC1C
InChIInChI=1S/C8H17NS.C2H6/c1-3-4-9-5-6-10-7-8(9)2;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyVZXRVWDRJZOXFE-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-propylthiomorpholine?
The IUPAC name of ethane;3-methyl-4-propylthiomorpholine (CID 143432613) is ethane;3-methyl-4-propylthiomorpholine.
What is the SMILES notation for ethane;3-methyl-4-propylthiomorpholine?
The canonical SMILES for ethane;3-methyl-4-propylthiomorpholine is CC.CCCN1CCSCC1C.
What is the InChIKey of ethane;3-methyl-4-propylthiomorpholine?
The InChIKey is VZXRVWDRJZOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS.C2H6/c1-3-4-9-5-6-10-7-8(9)2;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-4-propylthiomorpholine?
ethane;3-methyl-4-propylthiomorpholine has a molecular weight of 189.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-propylthiomorpholine is sourced from PubChem (CID 143432613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).