N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide

C17H29N5O4S — CID 92637607

IUPACN,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Cc2nn(C)cc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H29N5O4S/c1-19(2)27(24,25)22-6-4-14(5-7-22)12-16-15(13-20(3)18-16)17(23)21-8-10-26-11-9-21/h13-14H,4-12H2,1-3H3
InChIKeyQOHBEYNORBLATA-UHFFFAOYSA-N
MW399.52 g/mol
LogP-0.05
Rot. Bonds5

About N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide

N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide (PubChem CID 92637607) has the molecular formula C17H29N5O4S and a molecular weight of 399.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide
PubChem CID92637607
Molecular FormulaC17H29N5O4S
Molecular Weight399.52 g/mol
Exact Mass399.19
IUPAC NameN,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(Cc2nn(C)cc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H29N5O4S/c1-19(2)27(24,25)22-6-4-14(5-7-22)12-16-15(13-20(3)18-16)17(23)21-8-10-26-11-9-21/h13-14H,4-12H2,1-3H3
InChIKeyQOHBEYNORBLATA-UHFFFAOYSA-N
XLogP-0.05
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide
CID 155500318
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
(3-ethyl-1-methylpyrazol-4-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 102810985
3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 92638029
4-[(6-chloropyrazin-2-yl)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 175661913
(3R)-N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124970696
(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 559877
N,N-dimethyl-4-(6-morpholin-4-ylpyridine-3-carbonyl)piperazine-1-sulfonamide
CID 32505460
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811396
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
N,N-dimethyl-4-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
CID 110101741
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122161827

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide (CID 92637607) is N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(Cc2nn(C)cc2C(=O)N2CCOCC2)CC1.
What is the InChIKey of N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is QOHBEYNORBLATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O4S/c1-19(2)27(24,25)22-6-4-14(5-7-22)12-16-15(13-20(3)18-16)17(23)21-8-10-26-11-9-21/h13-14H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide?
N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 399.52 g/mol, XLogP of -0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[1-methyl-4-(morpholine-4-carbonyl)pyrazol-3-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 92637607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).