N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide

C13H25N5O2S — CID 106075100

IUPACN-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NN1C(C)CCCC1C
InChIInChI=1S/C13H25N5O2S/c1-4-14-8-12-9-15-16-13(12)21(19,20)17-18-10(2)6-5-7-11(18)3/h9-11,14,17H,4-8H2,1-3H3,(H,15,16)
InChIKeyLYDHYZMRXMDEBC-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.98
Rot. Bonds6

About N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106075100) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106075100
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NN1C(C)CCCC1C
InChIInChI=1S/C13H25N5O2S/c1-4-14-8-12-9-15-16-13(12)21(19,20)17-18-10(2)6-5-7-11(18)3/h9-11,14,17H,4-8H2,1-3H3,(H,15,16)
InChIKeyLYDHYZMRXMDEBC-UHFFFAOYSA-N
XLogP0.98
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-(3-methylcyclohexyl)-1H-pyrazole-5-sulfonamide
CID 106027691
4-(ethylaminomethyl)-N-(2-ethylsulfanylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106093464
N-(3,5-dimethylcyclohexyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068893
4-(ethylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106094891
N-[[5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 114551758
4-(ethylaminomethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106086431
4-(ethylaminomethyl)-N-(2-methyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106094012
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
N-(cyclopentylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106026928
N-[[5-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 106590018
N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106075100) is N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NN1C(C)CCCC1C.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is LYDHYZMRXMDEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-4-14-8-12-9-15-16-13(12)21(19,20)17-18-10(2)6-5-7-11(18)3/h9-11,14,17H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106075100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).