3-(4,4-dimethylpentyl)-1,3-thiazolidine

C10H21NS — CID 20774326

IUPAC3-(4,4-dimethylpentyl)-1,3-thiazolidine
SMILESCC(C)(C)CCCN1CCSC1
InChIInChI=1S/C10H21NS/c1-10(2,3)5-4-6-11-7-8-12-9-11/h4-9H2,1-3H3
InChIKeyAUKDXDKRYKBKSG-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.82
Rot. Bonds3

About 3-(4,4-dimethylpentyl)-1,3-thiazolidine

3-(4,4-dimethylpentyl)-1,3-thiazolidine (PubChem CID 20774326) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-(4,4-dimethylpentyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4,4-dimethylpentyl)-1,3-thiazolidine
PubChem CID20774326
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-(4,4-dimethylpentyl)-1,3-thiazolidine
SMILESCC(C)(C)CCCN1CCSC1
InChIInChI=1S/C10H21NS/c1-10(2,3)5-4-6-11-7-8-12-9-11/h4-9H2,1-3H3
InChIKeyAUKDXDKRYKBKSG-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentyl)-1,3-thiazolidine?
The IUPAC name of 3-(4,4-dimethylpentyl)-1,3-thiazolidine (CID 20774326) is 3-(4,4-dimethylpentyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4,4-dimethylpentyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4,4-dimethylpentyl)-1,3-thiazolidine is CC(C)(C)CCCN1CCSC1.
What is the InChIKey of 3-(4,4-dimethylpentyl)-1,3-thiazolidine?
The InChIKey is AUKDXDKRYKBKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)5-4-6-11-7-8-12-9-11/h4-9H2,1-3H3.
What are the key properties of 3-(4,4-dimethylpentyl)-1,3-thiazolidine?
3-(4,4-dimethylpentyl)-1,3-thiazolidine has a molecular weight of 187.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentyl)-1,3-thiazolidine is sourced from PubChem (CID 20774326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).