[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine

C10H19N5O2S — CID 80506146

IUPAC[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCN(C)CC1CN
InChIInChI=1S/C10H19N5O2S/c1-8-10(6-12-13-8)18(16,17)15-4-3-14(2)7-9(15)5-11/h6,9H,3-5,7,11H2,1-2H3,(H,12,13)
InChIKeyBJGUIWBZBRQISK-UHFFFAOYSA-N
MW273.36 g/mol
LogP-1.02
Rot. Bonds3

About [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine

[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine (PubChem CID 80506146) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine
PubChem CID80506146
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine
SMILESCc1[nH]ncc1S(=O)(=O)N1CCN(C)CC1CN
InChIInChI=1S/C10H19N5O2S/c1-8-10(6-12-13-8)18(16,17)15-4-3-14(2)7-9(15)5-11/h6,9H,3-5,7,11H2,1-2H3,(H,12,13)
InChIKeyBJGUIWBZBRQISK-UHFFFAOYSA-N
XLogP-1.02
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine (CID 80506146) is [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine is Cc1[nH]ncc1S(=O)(=O)N1CCN(C)CC1CN.
What is the InChIKey of [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine?
The InChIKey is BJGUIWBZBRQISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8-10(6-12-13-8)18(16,17)15-4-3-14(2)7-9(15)5-11/h6,9H,3-5,7,11H2,1-2H3,(H,12,13).
What are the key properties of [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine?
[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine has a molecular weight of 273.36 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine is sourced from PubChem (CID 80506146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).