2-methyl-2-(3-methylbutyl)-1,3-thiazolidine

C9H19NS — CID 3058780

IUPAC2-methyl-2-(3-methylbutyl)-1,3-thiazolidine
SMILESCC(C)CCC1(C)NCCS1
InChIInChI=1S/C9H19NS/c1-8(2)4-5-9(3)10-6-7-11-9/h8,10H,4-7H2,1-3H3
InChIKeyJNVZGMFOXVEVSD-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.48
Rot. Bonds3

About 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine

2-methyl-2-(3-methylbutyl)-1,3-thiazolidine (PubChem CID 3058780) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-2-(3-methylbutyl)-1,3-thiazolidine
PubChem CID3058780
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-methyl-2-(3-methylbutyl)-1,3-thiazolidine
SMILESCC(C)CCC1(C)NCCS1
InChIInChI=1S/C9H19NS/c1-8(2)4-5-9(3)10-6-7-11-9/h8,10H,4-7H2,1-3H3
InChIKeyJNVZGMFOXVEVSD-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine?
The IUPAC name of 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine (CID 3058780) is 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine?
The canonical SMILES for 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine is CC(C)CCC1(C)NCCS1.
What is the InChIKey of 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine?
The InChIKey is JNVZGMFOXVEVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)4-5-9(3)10-6-7-11-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine?
2-methyl-2-(3-methylbutyl)-1,3-thiazolidine has a molecular weight of 173.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylbutyl)-1,3-thiazolidine is sourced from PubChem (CID 3058780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).