N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

C10H20N2OS2 — CID 115734458

IUPACN-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCSCCC(C)NC(=O)C1CSCN1
InChIInChI=1S/C10H20N2OS2/c1-3-14-5-4-8(2)12-10(13)9-6-15-7-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyHPHKOFTUUIMIOM-UHFFFAOYSA-N
MW248.42 g/mol
LogP1.30
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide

N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 115734458) has the molecular formula C10H20N2OS2 and a molecular weight of 248.42 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID115734458
Molecular FormulaC10H20N2OS2
Molecular Weight248.42 g/mol
Exact Mass248.10
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCSCCC(C)NC(=O)C1CSCN1
InChIInChI=1S/C10H20N2OS2/c1-3-14-5-4-8(2)12-10(13)9-6-15-7-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyHPHKOFTUUIMIOM-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119334794
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
N-[(2S)-1-hydroxybutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 107222336
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71993237
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457
N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 119302976
N-(3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 104828221
N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119958433

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide (CID 115734458) is N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is CCSCCC(C)NC(=O)C1CSCN1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HPHKOFTUUIMIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS2/c1-3-14-5-4-8(2)12-10(13)9-6-15-7-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide?
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 248.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 115734458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).