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

C8H17NS — CID 91747992

IUPAC2-(3-methylbutyl)-1,3-thiazolidine
SMILESCC(C)CCC1NCCS1
InChIInChI=1S/C8H17NS/c1-7(2)3-4-8-9-5-6-10-8/h7-9H,3-6H2,1-2H3
InChIKeyBWFMCOLWSAFHSF-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.09
Rot. Bonds3

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

2-(3-methylbutyl)-1,3-thiazolidine (PubChem CID 91747992) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-methylbutyl)-1,3-thiazolidine
PubChem CID91747992
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-(3-methylbutyl)-1,3-thiazolidine
SMILESCC(C)CCC1NCCS1
InChIInChI=1S/C8H17NS/c1-7(2)3-4-8-9-5-6-10-8/h7-9H,3-6H2,1-2H3
InChIKeyBWFMCOLWSAFHSF-UHFFFAOYSA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butylthiazolidine
CID 147326
2-Pentyl-1,3-thiazolidine
CID 218690
2-Isobutylthiazolidine
CID 135445
2-Butyl-2-methyl-1,3-thiazolidine
CID 120766
Thiazolidine, 2-heptyl-
CID 120772
2-(Pentan-2-yl)-1,3-thiazolidine
CID 218555
Thiazolidine, 2-nonyl-
CID 3087731
5,5-Dimethyl-2-isopropylthiazolidine
CID 15751859
2-Methyl-2-(3-methylbutyl)-1,3-thiazolidine
CID 3058780
2-(Pentan-2-yl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 3061407
2-Cyclohexyl-5-methyl-1,3-thiazolidine
CID 3087736
5-Methyl-2-nonyl-1,3-thiazolidine
CID 3087737

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-1,3-thiazolidine?
The IUPAC name of 2-(3-methylbutyl)-1,3-thiazolidine (CID 91747992) is 2-(3-methylbutyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(3-methylbutyl)-1,3-thiazolidine?
The canonical SMILES for 2-(3-methylbutyl)-1,3-thiazolidine is CC(C)CCC1NCCS1.
What is the InChIKey of 2-(3-methylbutyl)-1,3-thiazolidine?
The InChIKey is BWFMCOLWSAFHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)3-4-8-9-5-6-10-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-1,3-thiazolidine?
2-(3-methylbutyl)-1,3-thiazolidine has a molecular weight of 159.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1,3-thiazolidine is sourced from PubChem (CID 91747992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).