ethane;3-methylidene-4-propan-2-ylthiomorpholine

C10H21NS — CID 143160740

IUPACethane;3-methylidene-4-propan-2-ylthiomorpholine
SMILESC=C1CSCCN1C(C)C.CC
InChIInChI=1S/C8H15NS.C2H6/c1-7(2)9-4-5-10-6-8(9)3;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyUWICFHOLOGKIIB-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.98
Rot. Bonds1

About ethane;3-methylidene-4-propan-2-ylthiomorpholine

ethane;3-methylidene-4-propan-2-ylthiomorpholine (PubChem CID 143160740) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;3-methylidene-4-propan-2-ylthiomorpholine.

Molecular Properties

Compound Nameethane;3-methylidene-4-propan-2-ylthiomorpholine
PubChem CID143160740
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;3-methylidene-4-propan-2-ylthiomorpholine
SMILESC=C1CSCCN1C(C)C.CC
InChIInChI=1S/C8H15NS.C2H6/c1-7(2)9-4-5-10-6-8(9)3;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyUWICFHOLOGKIIB-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidene-4-propan-2-ylthiomorpholine?
The IUPAC name of ethane;3-methylidene-4-propan-2-ylthiomorpholine (CID 143160740) is ethane;3-methylidene-4-propan-2-ylthiomorpholine.
What is the SMILES notation for ethane;3-methylidene-4-propan-2-ylthiomorpholine?
The canonical SMILES for ethane;3-methylidene-4-propan-2-ylthiomorpholine is C=C1CSCCN1C(C)C.CC.
What is the InChIKey of ethane;3-methylidene-4-propan-2-ylthiomorpholine?
The InChIKey is UWICFHOLOGKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-7(2)9-4-5-10-6-8(9)3;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methylidene-4-propan-2-ylthiomorpholine?
ethane;3-methylidene-4-propan-2-ylthiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-4-propan-2-ylthiomorpholine is sourced from PubChem (CID 143160740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).