2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide

C7H14N2O3S2 — CID 82728589

IUPAC2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide
SMILESCC1OCCC1NS(=O)(=O)CC(N)=S
InChIInChI=1S/C7H14N2O3S2/c1-5-6(2-3-12-5)9-14(10,11)4-7(8)13/h5-6,9H,2-4H2,1H3,(H2,8,13)
InChIKeyZYZJMMJGCQAXTG-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.63
Rot. Bonds4

About 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide

2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide (PubChem CID 82728589) has the molecular formula C7H14N2O3S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide
PubChem CID82728589
Molecular FormulaC7H14N2O3S2
Molecular Weight238.33 g/mol
Exact Mass238.04
IUPAC Name2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide
SMILESCC1OCCC1NS(=O)(=O)CC(N)=S
InChIInChI=1S/C7H14N2O3S2/c1-5-6(2-3-12-5)9-14(10,11)4-7(8)13/h5-6,9H,2-4H2,1H3,(H2,8,13)
InChIKeyZYZJMMJGCQAXTG-UHFFFAOYSA-N
XLogP-0.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-methyloxolan-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 82728260
2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide
CID 136540395
2-[(2-methyloxolan-3-yl)sulfamoyl]benzenecarbothioamide
CID 82728362
N-(2-methyloxolan-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 82728846
2-ethylsulfonyl-N-(2-methyloxolan-3-yl)acetamide
CID 136518749
2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide
CID 82726329
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methyloxolane
CID 82726272
3-[(2-methyloxolan-3-yl)sulfamoylmethyl]benzoic acid
CID 82725233
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
2-carbamothioyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82728259
2-[(2-methyloxolan-3-yl)methylsulfamoyl]butanethioamide
CID 114105822
5-amino-2,4-difluoro-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725317

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide?
The IUPAC name of 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide (CID 82728589) is 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide is CC1OCCC1NS(=O)(=O)CC(N)=S.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide?
The InChIKey is ZYZJMMJGCQAXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S2/c1-5-6(2-3-12-5)9-14(10,11)4-7(8)13/h5-6,9H,2-4H2,1H3,(H2,8,13).
What are the key properties of 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide?
2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide has a molecular weight of 238.33 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-yl)sulfamoyl]ethanethioamide is sourced from PubChem (CID 82728589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).