2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide

C8H12N2O2S3 — CID 61121428

IUPAC2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)c1cccs1)C(N)=S
InChIInChI=1S/C8H12N2O2S3/c1-8(2,7(9)13)10-15(11,12)6-4-3-5-14-6/h3-5,10H,1-2H3,(H2,9,13)
InChIKeyGOOYRXZFUGXWJD-UHFFFAOYSA-N
MW264.40 g/mol
LogP1.09
Rot. Bonds4

About 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide

2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide (PubChem CID 61121428) has the molecular formula C8H12N2O2S3 and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide
PubChem CID61121428
Molecular FormulaC8H12N2O2S3
Molecular Weight264.40 g/mol
Exact Mass264.01
IUPAC Name2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)c1cccs1)C(N)=S
InChIInChI=1S/C8H12N2O2S3/c1-8(2,7(9)13)10-15(11,12)6-4-3-5-14-6/h3-5,10H,1-2H3,(H2,9,13)
InChIKeyGOOYRXZFUGXWJD-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 51.09
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

N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 64555451
thiophen-2-ylsulfonylurea;urea
CID 19065180
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
methyl 3,3,3-trifluoro-2-hydroxy-2-(thiophen-2-ylsulfonylamino)propanoate
CID 3619840
N-(2-pyridin-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 110870510
N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide
CID 114294053
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
1-(thiophen-2-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123756
N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 43398038
1-(thiophen-2-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 61124079
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide?
The IUPAC name of 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide (CID 61121428) is 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide?
The canonical SMILES for 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide is CC(C)(NS(=O)(=O)c1cccs1)C(N)=S.
What is the InChIKey of 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide?
The InChIKey is GOOYRXZFUGXWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S3/c1-8(2,7(9)13)10-15(11,12)6-4-3-5-14-6/h3-5,10H,1-2H3,(H2,9,13).
What are the key properties of 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide?
2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide has a molecular weight of 264.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide is sourced from PubChem (CID 61121428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).