3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide

C10H16N2O2S3 — CID 62093885

IUPAC3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide
SMILESCCc1ccc(S(=O)(=O)NC(C)CC(N)=S)s1
InChIInChI=1S/C10H16N2O2S3/c1-3-8-4-5-10(16-8)17(13,14)12-7(2)6-9(11)15/h4-5,7,12H,3,6H2,1-2H3,(H2,11,15)
InChIKeyUTTYDPIGDQYUBW-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.65
Rot. Bonds6

About 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide

3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide (PubChem CID 62093885) has the molecular formula C10H16N2O2S3 and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide
PubChem CID62093885
Molecular FormulaC10H16N2O2S3
Molecular Weight292.45 g/mol
Exact Mass292.04
IUPAC Name3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide
SMILESCCc1ccc(S(=O)(=O)NC(C)CC(N)=S)s1
InChIInChI=1S/C10H16N2O2S3/c1-3-8-4-5-10(16-8)17(13,14)12-7(2)6-9(11)15/h4-5,7,12H,3,6H2,1-2H3,(H2,11,15)
InChIKeyUTTYDPIGDQYUBW-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.65
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

5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
2-[(5-ethylthiophen-2-yl)sulfonylamino]-2-phenylethanethioamide
CID 61454526
4-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-oxobutanoic acid
CID 61072627
N-(1-amino-3-methylbutan-2-yl)-5-ethylthiophene-2-sulfonamide
CID 65192574
5-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 115754871
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988073
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387
5-(aminomethyl)-N-pentan-2-ylthiophene-2-sulfonamide
CID 43155699
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide (CID 62093885) is 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide is CCc1ccc(S(=O)(=O)NC(C)CC(N)=S)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide?
The InChIKey is UTTYDPIGDQYUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S3/c1-3-8-4-5-10(16-8)17(13,14)12-7(2)6-9(11)15/h4-5,7,12H,3,6H2,1-2H3,(H2,11,15).
What are the key properties of 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide?
3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide has a molecular weight of 292.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide is sourced from PubChem (CID 62093885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).