[5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine

C9H16N4O3S — CID 102694127

IUPAC[5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H16N4O3S/c1-7-6-16-8(4-10)5-13(7)17(14,15)9-2-3-11-12-9/h2-3,7-8H,4-6,10H2,1H3,(H,11,12)
InChIKeyGZVXGEMTWVCNKT-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.85
Rot. Bonds3

About [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine

[5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine (PubChem CID 102694127) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine
PubChem CID102694127
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name[5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine
SMILESCC1COC(CN)CN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H16N4O3S/c1-7-6-16-8(4-10)5-13(7)17(14,15)9-2-3-11-12-9/h2-3,7-8H,4-6,10H2,1H3,(H,11,12)
InChIKeyGZVXGEMTWVCNKT-UHFFFAOYSA-N
XLogP-0.85
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine (CID 102694127) is [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine is CC1COC(CN)CN1S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine?
The InChIKey is GZVXGEMTWVCNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-7-6-16-8(4-10)5-13(7)17(14,15)9-2-3-11-12-9/h2-3,7-8H,4-6,10H2,1H3,(H,11,12).
What are the key properties of [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine?
[5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine has a molecular weight of 260.32 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanamine is sourced from PubChem (CID 102694127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).