N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide

C14H26N4O2S — CID 62062243

IUPACN-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCCN)C2CCCCCC2)cn1
InChIInChI=1S/C14H26N4O2S/c1-17-12-14(11-16-17)21(19,20)18(10-6-9-15)13-7-4-2-3-5-8-13/h11-13H,2-10,15H2,1H3
InChIKeyUIZTYFURFKHLLY-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.48
Rot. Bonds6

About N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide

N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide (PubChem CID 62062243) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide
PubChem CID62062243
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N(CCCN)C2CCCCCC2)cn1
InChIInChI=1S/C14H26N4O2S/c1-17-12-14(11-16-17)21(19,20)18(10-6-9-15)13-7-4-2-3-5-8-13/h11-13H,2-10,15H2,1H3
InChIKeyUIZTYFURFKHLLY-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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Related Compounds

N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-4-sulfonamide
CID 63397040
2-[cyclopentyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 60829977
3-[cyclopropyl-(1-methylpyrazol-4-yl)sulfonylamino]propanethioamide
CID 62062104
N-(3-aminopropyl)-N-cyclopentyl-1-methylimidazole-4-sulfonamide
CID 62374937
N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102874343
N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404
1-methyl-N-propyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 62062782
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
N-(2-aminoethyl)-N-cyclohexyl-1-methylimidazole-4-sulfonamide
CID 63766956
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N-(3-aminopropyl)-N-cyclopropyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 55030771
N-(3-aminopropyl)-N-cyclobutyl-1-cyclohexylmethanesulfonamide
CID 102874325

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide (CID 62062243) is N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N(CCCN)C2CCCCCC2)cn1.
What is the InChIKey of N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide?
The InChIKey is UIZTYFURFKHLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-17-12-14(11-16-17)21(19,20)18(10-6-9-15)13-7-4-2-3-5-8-13/h11-13H,2-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-sulfonamide?
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-4-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-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62062243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).