N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide

C18H32N4O2S — CID 56913094

IUPACN-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCN(C3CCCCCC3)C2)c(C)n1
InChIInChI=1S/C18H32N4O2S/c1-3-22-14-18(15(2)19-22)25(23,24)20-16-9-8-12-21(13-16)17-10-6-4-5-7-11-17/h14,16-17,20H,3-13H2,1-2H3
InChIKeyRJMQKAGTVLCWKN-UHFFFAOYSA-N
MW368.55 g/mol
LogP2.68
Rot. Bonds5

About N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide

N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 56913094) has the molecular formula C18H32N4O2S and a molecular weight of 368.55 g/mol. Its IUPAC name is N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID56913094
Molecular FormulaC18H32N4O2S
Molecular Weight368.55 g/mol
Exact Mass368.22
IUPAC NameN-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCN(C3CCCCCC3)C2)c(C)n1
InChIInChI=1S/C18H32N4O2S/c1-3-22-14-18(15(2)19-22)25(23,24)20-16-9-8-12-21(13-16)17-10-6-4-5-7-11-17/h14,16-17,20H,3-13H2,1-2H3
InChIKeyRJMQKAGTVLCWKN-UHFFFAOYSA-N
XLogP2.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19581844
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
3-amino-N-cyclooctyl-1-ethylpyrazole-4-sulfonamide
CID 60808927
1-ethyl-3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-sulfonamide
CID 22772503
N-(1-cyclohexylpiperidin-3-yl)methanesulfonamide
CID 86865548
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide
CID 95226625
3-amino-N-(1-ethylpiperidin-3-yl)-1-propylpyrazole-4-sulfonamide
CID 61170162
(3S)-1-cyclohexyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]piperidin-3-amine
CID 99851277
N-(1-adamantyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681563
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide
CID 27526282

Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide (CID 56913094) is N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCN(C3CCCCCC3)C2)c(C)n1.
What is the InChIKey of N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is RJMQKAGTVLCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2S/c1-3-22-14-18(15(2)19-22)25(23,24)20-16-9-8-12-21(13-16)17-10-6-4-5-7-11-17/h14,16-17,20H,3-13H2,1-2H3.
What are the key properties of N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 368.55 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylpiperidin-3-yl)-1-ethyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 56913094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).