1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide

C13H24N4O2S — CID 94081659

IUPAC1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
SMILESC[C@@H]1CCCN(CCCNS(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C13H24N4O2S/c1-12-5-3-7-17(10-12)8-4-6-15-20(18,19)13-9-14-16(2)11-13/h9,11-12,15H,3-8,10H2,1-2H3/t12-/m1/s1
InChIKeyCEMRXSLSNCIACQ-GFCCVEGCSA-N
MW300.43 g/mol
LogP0.82
Rot. Bonds6

About 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide

1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide (PubChem CID 94081659) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
PubChem CID94081659
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
SMILESC[C@@H]1CCCN(CCCNS(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C13H24N4O2S/c1-12-5-3-7-17(10-12)8-4-6-15-20(18,19)13-9-14-16(2)11-13/h9,11-12,15H,3-8,10H2,1-2H3/t12-/m1/s1
InChIKeyCEMRXSLSNCIACQ-GFCCVEGCSA-N
XLogP0.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 94025310
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 55895359
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
N-(6-chlorohexyl)-1-methylpyrazole-4-sulfonamide
CID 107849199
N-(5-iodopentyl)-1-methylpyrazole-4-sulfonamide
CID 107322883
4-methoxy-2,6-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94797694
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422
3-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100721189

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide (CID 94081659) is 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide is C[C@@H]1CCCN(CCCNS(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide?
The InChIKey is CEMRXSLSNCIACQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-12-5-3-7-17(10-12)8-4-6-15-20(18,19)13-9-14-16(2)11-13/h9,11-12,15H,3-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide?
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 94081659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).