(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine

C9H16N4O2S — CID 104975074

IUPAC(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C9H16N4O2S/c1-7-6-13(4-3-10-7)16(14,15)9-5-11-12-8(9)2/h5,7,10H,3-4,6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyOOOTTYYHCVORDU-SSDOTTSWSA-N
MW244.32 g/mol
LogP-0.30
Rot. Bonds2

About (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine

(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine (PubChem CID 104975074) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
PubChem CID104975074
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C9H16N4O2S/c1-7-6-13(4-3-10-7)16(14,15)9-5-11-12-8(9)2/h5,7,10H,3-4,6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKeyOOOTTYYHCVORDU-SSDOTTSWSA-N
XLogP-0.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The IUPAC name of (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine (CID 104975074) is (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine.
What is the SMILES notation for (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The canonical SMILES for (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine is Cc1[nH]ncc1S(=O)(=O)N1CCN[C@H](C)C1.
What is the InChIKey of (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The InChIKey is OOOTTYYHCVORDU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-7-6-13(4-3-10-7)16(14,15)9-5-11-12-8(9)2/h5,7,10H,3-4,6H2,1-2H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine has a molecular weight of 244.32 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine is sourced from PubChem (CID 104975074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).