3-(2-methylpentan-2-yl)thiomorpholine

C10H21NS — CID 139332273

IUPAC3-(2-methylpentan-2-yl)thiomorpholine
SMILESCCCC(C)(C)C1CSCCN1
InChIInChI=1S/C10H21NS/c1-4-5-10(2,3)9-8-12-7-6-11-9/h9,11H,4-8H2,1-3H3
InChIKeyNOLWOWZGORYAFB-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds3

About 3-(2-methylpentan-2-yl)thiomorpholine

3-(2-methylpentan-2-yl)thiomorpholine (PubChem CID 139332273) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-(2-methylpentan-2-yl)thiomorpholine.

Molecular Properties

Compound Name3-(2-methylpentan-2-yl)thiomorpholine
PubChem CID139332273
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-(2-methylpentan-2-yl)thiomorpholine
SMILESCCCC(C)(C)C1CSCCN1
InChIInChI=1S/C10H21NS/c1-4-5-10(2,3)9-8-12-7-6-11-9/h9,11H,4-8H2,1-3H3
InChIKeyNOLWOWZGORYAFB-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-2-yl)thiomorpholine?
The IUPAC name of 3-(2-methylpentan-2-yl)thiomorpholine (CID 139332273) is 3-(2-methylpentan-2-yl)thiomorpholine.
What is the SMILES notation for 3-(2-methylpentan-2-yl)thiomorpholine?
The canonical SMILES for 3-(2-methylpentan-2-yl)thiomorpholine is CCCC(C)(C)C1CSCCN1.
What is the InChIKey of 3-(2-methylpentan-2-yl)thiomorpholine?
The InChIKey is NOLWOWZGORYAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-5-10(2,3)9-8-12-7-6-11-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-(2-methylpentan-2-yl)thiomorpholine?
3-(2-methylpentan-2-yl)thiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-2-yl)thiomorpholine is sourced from PubChem (CID 139332273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).