(3R)-3-butan-2-yl-4-methylthiomorpholine

C9H19NS — CID 89094418

IUPAC(3R)-3-butan-2-yl-4-methylthiomorpholine
SMILESCCC(C)[C@@H]1CSCCN1C
InChIInChI=1S/C9H19NS/c1-4-8(2)9-7-11-6-5-10(9)3/h8-9H,4-7H2,1-3H3/t8?,9-/m0/s1
InChIKeyAWDVXCQOHCFPLA-GKAPJAKFSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds2

About (3R)-3-butan-2-yl-4-methylthiomorpholine

(3R)-3-butan-2-yl-4-methylthiomorpholine (PubChem CID 89094418) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (3R)-3-butan-2-yl-4-methylthiomorpholine.

Molecular Properties

Compound Name(3R)-3-butan-2-yl-4-methylthiomorpholine
PubChem CID89094418
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(3R)-3-butan-2-yl-4-methylthiomorpholine
SMILESCCC(C)[C@@H]1CSCCN1C
InChIInChI=1S/C9H19NS/c1-4-8(2)9-7-11-6-5-10(9)3/h8-9H,4-7H2,1-3H3/t8?,9-/m0/s1
InChIKeyAWDVXCQOHCFPLA-GKAPJAKFSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-butan-2-yl-4-methylthiomorpholine?
The IUPAC name of (3R)-3-butan-2-yl-4-methylthiomorpholine (CID 89094418) is (3R)-3-butan-2-yl-4-methylthiomorpholine.
What is the SMILES notation for (3R)-3-butan-2-yl-4-methylthiomorpholine?
The canonical SMILES for (3R)-3-butan-2-yl-4-methylthiomorpholine is CCC(C)[C@@H]1CSCCN1C.
What is the InChIKey of (3R)-3-butan-2-yl-4-methylthiomorpholine?
The InChIKey is AWDVXCQOHCFPLA-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-8(2)9-7-11-6-5-10(9)3/h8-9H,4-7H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (3R)-3-butan-2-yl-4-methylthiomorpholine?
(3R)-3-butan-2-yl-4-methylthiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butan-2-yl-4-methylthiomorpholine is sourced from PubChem (CID 89094418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).