N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide

C16H24N6O2S — CID 110102400

IUPACN,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(Cc2cnc(-c3cnn(C)c3)cn2)C1
InChIInChI=1S/C16H24N6O2S/c1-20(2)25(23,24)22-6-4-5-13(11-22)7-15-9-18-16(10-17-15)14-8-19-21(3)12-14/h8-10,12-13H,4-7,11H2,1-3H3
InChIKeyMZWVPDNXVSRMKX-UHFFFAOYSA-N
MW364.48 g/mol
LogP0.94
Rot. Bonds5

About N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide

N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide (PubChem CID 110102400) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
PubChem CID110102400
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC NameN,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(Cc2cnc(-c3cnn(C)c3)cn2)C1
InChIInChI=1S/C16H24N6O2S/c1-20(2)25(23,24)22-6-4-5-13(11-22)7-15-9-18-16(10-17-15)14-8-19-21(3)12-14/h8-10,12-13H,4-7,11H2,1-3H3
InChIKeyMZWVPDNXVSRMKX-UHFFFAOYSA-N
XLogP0.94
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide (CID 110102400) is N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(Cc2cnc(-c3cnn(C)c3)cn2)C1.
What is the InChIKey of N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is MZWVPDNXVSRMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-20(2)25(23,24)22-6-4-5-13(11-22)7-15-9-18-16(10-17-15)14-8-19-21(3)12-14/h8-10,12-13H,4-7,11H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide?
N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 364.48 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 110102400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).