N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide

C11H20N4O2S — CID 43606994

IUPACN,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCNCC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14-13-8)18(16,17)15(3)10-4-6-12-7-5-10/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyDETGDAJDHOOHMO-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.40
Rot. Bonds3

About N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide (PubChem CID 43606994) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide
PubChem CID43606994
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCNCC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14-13-8)18(16,17)15(3)10-4-6-12-7-5-10/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyDETGDAJDHOOHMO-UHFFFAOYSA-N
XLogP0.40
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
CID 3245583
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azepane
CID 3240803
1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 3244235
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperazine
CID 5047365
N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
CID 4962643
1-(3,5-Dimethyl-1H-pyrazole-4-sulfonyl)piperidine
CID 4564826
N,N-diethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16226714
3,5-dimethyl-N,N-dipropyl-1H-pyrazole-4-sulfonamide
CID 16767763
N-cyclopropyl-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43243326
N-[3-(diethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16288064
1-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-methylpiperidine
CID 4368065
3,5-Dimethyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrazole
CID 4736860

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide (CID 43606994) is N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)C1CCNCC1.
What is the InChIKey of N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is DETGDAJDHOOHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-11(9(2)14-13-8)18(16,17)15(3)10-4-6-12-7-5-10/h10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43606994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).