2-heptyl-4,4-dimethyl-1,3-thiazolidine

C12H25NS — CID 66229686

IUPAC2-heptyl-4,4-dimethyl-1,3-thiazolidine
SMILESCCCCCCCC1NC(C)(C)CS1
InChIInChI=1S/C12H25NS/c1-4-5-6-7-8-9-11-13-12(2,3)10-14-11/h11,13H,4-10H2,1-3H3
InChIKeyAHIIDENIRYWXPD-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.79
Rot. Bonds6

About 2-heptyl-4,4-dimethyl-1,3-thiazolidine

2-heptyl-4,4-dimethyl-1,3-thiazolidine (PubChem CID 66229686) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-heptyl-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-heptyl-4,4-dimethyl-1,3-thiazolidine
PubChem CID66229686
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-heptyl-4,4-dimethyl-1,3-thiazolidine
SMILESCCCCCCCC1NC(C)(C)CS1
InChIInChI=1S/C12H25NS/c1-4-5-6-7-8-9-11-13-12(2,3)10-14-11/h11,13H,4-10H2,1-3H3
InChIKeyAHIIDENIRYWXPD-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-4-methyl-1,3-thiazinane
CID 66232199
2-nonyl-1,3-thiazinane;hydrochloride
CID 3061409
2-hexyl-1,3-thiazolidin-4-one
CID 134090286
CID 58612647
CID 58612647
4-methyl-2-pentyl-1,3-thiazolidine
CID 66219394
1,1-dimethyl-2-octylcyclopropane
CID 15329257
2-nonylthietane
CID 21487379
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
3-dodecyl-2,2,6,6-tetramethylpiperidine
CID 173069280
2-hexyl-1,3-thiazinane-4-carboxylic acid
CID 60919531
2-dodecyl-1,3-thiazinane-4-carboxylic acid
CID 11782043

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-heptyl-4,4-dimethyl-1,3-thiazolidine (CID 66229686) is 2-heptyl-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-heptyl-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-heptyl-4,4-dimethyl-1,3-thiazolidine is CCCCCCCC1NC(C)(C)CS1.
What is the InChIKey of 2-heptyl-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is AHIIDENIRYWXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-5-6-7-8-9-11-13-12(2,3)10-14-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-heptyl-4,4-dimethyl-1,3-thiazolidine?
2-heptyl-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 215.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 66229686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).