4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine

C14H22N2OS — CID 102544855

IUPAC4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine
SMILESCc1cc(SC(C)(C)C)cnc1N1CCOCC1
InChIInChI=1S/C14H22N2OS/c1-11-9-12(18-14(2,3)4)10-15-13(11)16-5-7-17-8-6-16/h9-10H,5-8H2,1-4H3
InChIKeyYWHNPTMFBHBMOU-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.12
Rot. Bonds2

About 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine

4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine (PubChem CID 102544855) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine
PubChem CID102544855
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine
SMILESCc1cc(SC(C)(C)C)cnc1N1CCOCC1
InChIInChI=1S/C14H22N2OS/c1-11-9-12(18-14(2,3)4)10-15-13(11)16-5-7-17-8-6-16/h9-10H,5-8H2,1-4H3
InChIKeyYWHNPTMFBHBMOU-UHFFFAOYSA-N
XLogP3.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine?
The IUPAC name of 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine (CID 102544855) is 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine?
The canonical SMILES for 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine is Cc1cc(SC(C)(C)C)cnc1N1CCOCC1.
What is the InChIKey of 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine?
The InChIKey is YWHNPTMFBHBMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-9-12(18-14(2,3)4)10-15-13(11)16-5-7-17-8-6-16/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine?
4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine has a molecular weight of 266.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butylsulfanyl-3-methyl-2-pyridinyl)morpholine is sourced from PubChem (CID 102544855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).