2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide

C10H15BrN2O2S3 — CID 79987384

IUPAC2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide
SMILESCc1cc(S(=O)(=O)NC(C(N)=S)C(C)C)sc1Br
InChIInChI=1S/C10H15BrN2O2S3/c1-5(2)8(10(12)16)13-18(14,15)7-4-6(3)9(11)17-7/h4-5,8,13H,1-3H3,(H2,12,16)
InChIKeySZIXXSDOJYOBSI-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.41
Rot. Bonds5

About 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide

2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide (PubChem CID 79987384) 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]-3-methylbutanethioamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide
PubChem CID79987384
Molecular FormulaC10H15BrN2O2S3
Molecular Weight371.35 g/mol
Exact Mass369.95
IUPAC Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide
SMILESCc1cc(S(=O)(=O)NC(C(N)=S)C(C)C)sc1Br
InChIInChI=1S/C10H15BrN2O2S3/c1-5(2)8(10(12)16)13-18(14,15)7-4-6(3)9(11)17-7/h4-5,8,13H,1-3H3,(H2,12,16)
InChIKeySZIXXSDOJYOBSI-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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]-N'-hydroxy-3-methylbutanimidamide
CID 79987550
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanoate
CID 79988235
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988717
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988073
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 114208119
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 122067984
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide?
The IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide (CID 79987384) is 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide.
What is the SMILES notation for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide?
The canonical SMILES for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide is Cc1cc(S(=O)(=O)NC(C(N)=S)C(C)C)sc1Br.
What is the InChIKey of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide?
The InChIKey is SZIXXSDOJYOBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S3/c1-5(2)8(10(12)16)13-18(14,15)7-4-6(3)9(11)17-7/h4-5,8,13H,1-3H3,(H2,12,16).
What are the key properties of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide?
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylbutanethioamide has a molecular weight of 371.35 g/mol, XLogP of 2.41, 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]-3-methylbutanethioamide is sourced from PubChem (CID 79987384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).