5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide

C12H18N2O2S3 — CID 106271931

IUPAC5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C12H18N2O2S3/c1-8-4-3-5-9(2)14(8)19(15,16)11-7-6-10(18-11)12(13)17/h6-9H,3-5H2,1-2H3,(H2,13,17)/t8-,9+
InChIKeyYUUJNQAUBQWMSX-DTORHVGOSA-N
MW318.49 g/mol
LogP2.33
Rot. Bonds3

About 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide

5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide (PubChem CID 106271931) has the molecular formula C12H18N2O2S3 and a molecular weight of 318.49 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide
PubChem CID106271931
Molecular FormulaC12H18N2O2S3
Molecular Weight318.49 g/mol
Exact Mass318.05
IUPAC Name5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C12H18N2O2S3/c1-8-4-3-5-9(2)14(8)19(15,16)11-7-6-10(18-11)12(13)17/h6-9H,3-5H2,1-2H3,(H2,13,17)/t8-,9+
InChIKeyYUUJNQAUBQWMSX-DTORHVGOSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270508
5-(2-methylazepan-1-yl)sulfonylthiophene-2-carbothioamide
CID 106271290
5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270510
5-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270307
methyl 1-(5-carbamothioylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 106271625
N-[1-(5-carbamothioylthiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 106271713
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-methylbenzenecarbothioamide
CID 106920409
4-chloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylbenzenecarbothioamide
CID 104967504
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanethioamide
CID 104967500
5-[(1-ethylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270897
5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106270447
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carbothioamide
CID 106272011

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide (CID 106271931) is 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide?
The InChIKey is YUUJNQAUBQWMSX-DTORHVGOSA-N. The full InChI is InChI=1S/C12H18N2O2S3/c1-8-4-3-5-9(2)14(8)19(15,16)11-7-6-10(18-11)12(13)17/h6-9H,3-5H2,1-2H3,(H2,13,17)/t8-,9+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide?
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide has a molecular weight of 318.49 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide is sourced from PubChem (CID 106271931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).