4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide

C13H22N4O3S — CID 16780041

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCC1CC(C)CN(S(=O)(=O)c2cc(C(=O)NN)n(C)c2)C1
InChIInChI=1S/C13H22N4O3S/c1-9-4-10(2)7-17(6-9)21(19,20)11-5-12(13(18)15-14)16(3)8-11/h5,8-10H,4,6-7,14H2,1-3H3,(H,15,18)
InChIKeySQUPCTZWVKYBRN-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.30
Rot. Bonds3

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide (PubChem CID 16780041) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide
PubChem CID16780041
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCC1CC(C)CN(S(=O)(=O)c2cc(C(=O)NN)n(C)c2)C1
InChIInChI=1S/C13H22N4O3S/c1-9-4-10(2)7-17(6-9)21(19,20)11-5-12(13(18)15-14)16(3)8-11/h5,8-10H,4,6-7,14H2,1-3H3,(H,15,18)
InChIKeySQUPCTZWVKYBRN-UHFFFAOYSA-N
XLogP0.30
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.30
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'}

Analyze 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 103576446
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55742784
5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
CID 16780167
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55742136
1-methyl-N-[2-(methylamino)propyl]-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 120827627
N-(3,5-dimethylphenyl)-1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 95074371
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489
N-(2-ethylphenyl)-1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087291
4-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]-1-methylpyrrole-2-carboxylic acid
CID 99603317
ethyl 4-[[1-methyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonylpyrrole-2-carbonyl]amino]benzoate
CID 93059386

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide (CID 16780041) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide is CC1CC(C)CN(S(=O)(=O)c2cc(C(=O)NN)n(C)c2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The InChIKey is SQUPCTZWVKYBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-9-4-10(2)7-17(6-9)21(19,20)11-5-12(13(18)15-14)16(3)8-11/h5,8-10H,4,6-7,14H2,1-3H3,(H,15,18).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide has a molecular weight of 314.41 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 16780041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).