2,2-dimethyl-4-(3-methylbutyl)thiomorpholine

C11H23NS — CID 130726719

IUPAC2,2-dimethyl-4-(3-methylbutyl)thiomorpholine
SMILESCC(C)CCN1CCSC(C)(C)C1
InChIInChI=1S/C11H23NS/c1-10(2)5-6-12-7-8-13-11(3,4)9-12/h10H,5-9H2,1-4H3
InChIKeyUUAKWGAEFNFSOZ-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.86
Rot. Bonds3

About 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine

2,2-dimethyl-4-(3-methylbutyl)thiomorpholine (PubChem CID 130726719) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-(3-methylbutyl)thiomorpholine
PubChem CID130726719
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2,2-dimethyl-4-(3-methylbutyl)thiomorpholine
SMILESCC(C)CCN1CCSC(C)(C)C1
InChIInChI=1S/C11H23NS/c1-10(2)5-6-12-7-8-13-11(3,4)9-12/h10H,5-9H2,1-4H3
InChIKeyUUAKWGAEFNFSOZ-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine?
The IUPAC name of 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine (CID 130726719) is 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine.
What is the SMILES notation for 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine?
The canonical SMILES for 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine is CC(C)CCN1CCSC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine?
The InChIKey is UUAKWGAEFNFSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(2)5-6-12-7-8-13-11(3,4)9-12/h10H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine?
2,2-dimethyl-4-(3-methylbutyl)thiomorpholine has a molecular weight of 201.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3-methylbutyl)thiomorpholine is sourced from PubChem (CID 130726719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).