4-(3-methylbutyl)thiomorpholine

C9H19NS — CID 58721587

IUPAC4-(3-methylbutyl)thiomorpholine
SMILESCC(C)CCN1CCSCC1
InChIInChI=1S/C9H19NS/c1-9(2)3-4-10-5-7-11-8-6-10/h9H,3-8H2,1-2H3
InChIKeyFODQMZQVBDNTEI-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.08
Rot. Bonds3

About 4-(3-methylbutyl)thiomorpholine

4-(3-methylbutyl)thiomorpholine (PubChem CID 58721587) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-(3-methylbutyl)thiomorpholine.

Molecular Properties

Compound Name4-(3-methylbutyl)thiomorpholine
PubChem CID58721587
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-(3-methylbutyl)thiomorpholine
SMILESCC(C)CCN1CCSCC1
InChIInChI=1S/C9H19NS/c1-9(2)3-4-10-5-7-11-8-6-10/h9H,3-8H2,1-2H3
InChIKeyFODQMZQVBDNTEI-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 4-(3-methylbutyl)thiomorpholine?
The IUPAC name of 4-(3-methylbutyl)thiomorpholine (CID 58721587) is 4-(3-methylbutyl)thiomorpholine.
What is the SMILES notation for 4-(3-methylbutyl)thiomorpholine?
The canonical SMILES for 4-(3-methylbutyl)thiomorpholine is CC(C)CCN1CCSCC1.
What is the InChIKey of 4-(3-methylbutyl)thiomorpholine?
The InChIKey is FODQMZQVBDNTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2)3-4-10-5-7-11-8-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)thiomorpholine?
4-(3-methylbutyl)thiomorpholine has a molecular weight of 173.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)thiomorpholine is sourced from PubChem (CID 58721587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).