2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide

C10H15BrN2O2S3 — CID 79989092

IUPAC2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)c1cc(C)c(Br)s1)C(N)=S
InChIInChI=1S/C10H15BrN2O2S3/c1-4-10(3,9(12)16)13-18(14,15)7-5-6(2)8(11)17-7/h5,13H,4H2,1-3H3,(H2,12,16)
InChIKeyHNOHCZKBIBQUDJ-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.55
Rot. Bonds5

About 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide

2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide (PubChem CID 79989092) has the molecular formula C10H15BrN2O2S3 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide
PubChem CID79989092
Molecular FormulaC10H15BrN2O2S3
Molecular Weight371.35 g/mol
Exact Mass369.95
IUPAC Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide
SMILESCCC(C)(NS(=O)(=O)c1cc(C)c(Br)s1)C(N)=S
InChIInChI=1S/C10H15BrN2O2S3/c1-4-10(3,9(12)16)13-18(14,15)7-5-6(2)8(11)17-7/h5,13H,4H2,1-3H3,(H2,12,16)
InChIKeyHNOHCZKBIBQUDJ-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.55
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-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 79930822
2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]butanethioamide
CID 103414629
N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79989371
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988717
2-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbutanethioamide
CID 61124872
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988073
2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide
CID 79987384
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79988823
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 114208119
3-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-propan-2-ylamino]propanethioamide
CID 79987516

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide?
The IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide (CID 79989092) is 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide.
What is the SMILES notation for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide?
The canonical SMILES for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide is CCC(C)(NS(=O)(=O)c1cc(C)c(Br)s1)C(N)=S.
What is the InChIKey of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide?
The InChIKey is HNOHCZKBIBQUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S3/c1-4-10(3,9(12)16)13-18(14,15)7-5-6(2)8(11)17-7/h5,13H,4H2,1-3H3,(H2,12,16).
What are the key properties of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide?
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide has a molecular weight of 371.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methylbutanethioamide is sourced from PubChem (CID 79989092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).