2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide

C9H18N2O3S2 — CID 62048267

IUPAC2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide
SMILESCCN(CC(N)=S)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H18N2O3S2/c1-2-11(7-9(10)15)16(12,13)8-3-5-14-6-4-8/h8H,2-7H2,1H3,(H2,10,15)
InChIKeyLHTADYBRIOWAGK-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.10
Rot. Bonds5

About 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide

2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide (PubChem CID 62048267) has the molecular formula C9H18N2O3S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide
PubChem CID62048267
Molecular FormulaC9H18N2O3S2
Molecular Weight266.39 g/mol
Exact Mass266.08
IUPAC Name2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide
SMILESCCN(CC(N)=S)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H18N2O3S2/c1-2-11(7-9(10)15)16(12,13)8-3-5-14-6-4-8/h8H,2-7H2,1H3,(H2,10,15)
InChIKeyLHTADYBRIOWAGK-UHFFFAOYSA-N
XLogP0.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
1-Methylsulfanyl-4-(oxan-4-ylsulfonyl)piperazine
CID 146388997
3-[Ethyl(oxan-4-ylsulfonyl)amino]-2-methylpropanethioamide
CID 55031250
2-[Oxolan-2-ylmethylsulfonyl(propyl)amino]ethanethioamide
CID 55173354
3-[Methyl(oxan-4-ylsulfonyl)amino]butanethioamide
CID 55174146
2-[4-(3-Methoxypropylsulfonyl)piperazin-1-yl]ethanethioamide
CID 55201378
2-[4-(2-Ethoxyethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 55201568
2-[2-Methoxyethylsulfonyl(propyl)amino]ethanethioamide
CID 61879018
3-[Ethyl(oxan-4-ylsulfonyl)amino]propanethioamide
CID 62048081
2-Methyl-3-[methyl(oxan-4-ylsulfonyl)amino]propanethioamide
CID 62048082
3-[Oxan-4-ylsulfonyl(propan-2-yl)amino]propanethioamide
CID 62048083
3-[2-Methylpropyl(oxan-4-ylsulfonyl)amino]propanethioamide
CID 62048265

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide?
The IUPAC name of 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide (CID 62048267) is 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide.
What is the SMILES notation for 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide?
The canonical SMILES for 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide is CCN(CC(N)=S)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide?
The InChIKey is LHTADYBRIOWAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S2/c1-2-11(7-9(10)15)16(12,13)8-3-5-14-6-4-8/h8H,2-7H2,1H3,(H2,10,15).
What are the key properties of 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide?
2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide has a molecular weight of 266.39 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxan-4-ylsulfonyl)amino]ethanethioamide is sourced from PubChem (CID 62048267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).