N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine

C14H20N6O2S — CID 164621876

IUPACN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C14H20N6O2S/c1-10-14(11(2)19-18-10)23(21,22)20-7-3-12(4-8-20)17-13-9-15-5-6-16-13/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWVYOFDPRALNLHI-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.08
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine

N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine (PubChem CID 164621876) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine
PubChem CID164621876
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C14H20N6O2S/c1-10-14(11(2)19-18-10)23(21,22)20-7-3-12(4-8-20)17-13-9-15-5-6-16-13/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyWVYOFDPRALNLHI-UHFFFAOYSA-N
XLogP1.08
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 60700315
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine?
The IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine (CID 164621876) is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine?
The canonical SMILES for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Nc2cnccn2)CC1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine?
The InChIKey is WVYOFDPRALNLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-10-14(11(2)19-18-10)23(21,22)20-7-3-12(4-8-20)17-13-9-15-5-6-16-13/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine?
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine has a molecular weight of 336.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]pyrazin-2-amine is sourced from PubChem (CID 164621876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).