(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one

C15H28N2OS — CID 42627656

IUPAC(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@]1(C)SC(NC2CCCCCCC2)NC1=O
InChIInChI=1S/C15H28N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12,14,16H,3-11H2,1-2H3,(H,17,18)/t14?,15-/m0/s1
InChIKeyQCOJACIDLCQWEW-LOACHALJSA-N
MW284.47 g/mol
LogP3.39
Rot. Bonds4

About (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one

(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one (PubChem CID 42627656) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
PubChem CID42627656
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@]1(C)SC(NC2CCCCCCC2)NC1=O
InChIInChI=1S/C15H28N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12,14,16H,3-11H2,1-2H3,(H,17,18)/t14?,15-/m0/s1
InChIKeyQCOJACIDLCQWEW-LOACHALJSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one (CID 42627656) is (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one is CCC[C@]1(C)SC(NC2CCCCCCC2)NC1=O.
What is the InChIKey of (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is QCOJACIDLCQWEW-LOACHALJSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-3-11-15(2)13(18)17-14(19-15)16-12-9-7-5-4-6-8-10-12/h12,14,16H,3-11H2,1-2H3,(H,17,18)/t14?,15-/m0/s1.
What are the key properties of (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one?
(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 284.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42627656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).