N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide

C14H26N4O2S — CID 104709267

IUPACN-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C14H26N4O2S/c1-17-14(9-11-16-17)21(19,20)18(12-6-10-15)13-7-4-2-3-5-8-13/h9,11,13H,2-8,10,12,15H2,1H3
InChIKeyLFOAHUVAWKKJQS-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.48
Rot. Bonds6

About N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide

N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide (PubChem CID 104709267) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide
PubChem CID104709267
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCCN)C1CCCCCC1
InChIInChI=1S/C14H26N4O2S/c1-17-14(9-11-16-17)21(19,20)18(12-6-10-15)13-7-4-2-3-5-8-13/h9,11,13H,2-8,10,12,15H2,1H3
InChIKeyLFOAHUVAWKKJQS-UHFFFAOYSA-N
XLogP1.48
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide (CID 104709267) is N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)N(CCCN)C1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide?
The InChIKey is LFOAHUVAWKKJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-17-14(9-11-16-17)21(19,20)18(12-6-10-15)13-7-4-2-3-5-8-13/h9,11,13H,2-8,10,12,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide?
N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cycloheptyl-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).