3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide

C11H17N3O3S2 — CID 26585377

IUPAC3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)NN)C1
InChIInChI=1S/C11H17N3O3S2/c1-8-3-2-5-14(7-8)19(16,17)9-4-6-18-10(9)11(15)13-12/h4,6,8H,2-3,5,7,12H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyAOXHIZQORCYQEA-QMMMGPOBSA-N
MW303.41 g/mol
LogP0.77
Rot. Bonds3

About 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide

3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide (PubChem CID 26585377) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide
PubChem CID26585377
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)NN)C1
InChIInChI=1S/C11H17N3O3S2/c1-8-3-2-5-14(7-8)19(16,17)9-4-6-18-10(9)11(15)13-12/h4,6,8H,2-3,5,7,12H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyAOXHIZQORCYQEA-QMMMGPOBSA-N
XLogP0.77
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3R)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide
CID 26585376
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55714996
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
3-(3,4-dimethylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63610538
N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119475088
methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 18147980
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 114680534
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
2-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43342652
2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide?
The IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide (CID 26585377) is 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide.
What is the SMILES notation for 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide?
The canonical SMILES for 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide is C[C@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)NN)C1.
What is the InChIKey of 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide?
The InChIKey is AOXHIZQORCYQEA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-8-3-2-5-14(7-8)19(16,17)9-4-6-18-10(9)11(15)13-12/h4,6,8H,2-3,5,7,12H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide?
3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide has a molecular weight of 303.41 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methylpiperidin-1-yl]sulfonylthiophene-2-carbohydrazide is sourced from PubChem (CID 26585377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).