2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine

C9H15N3O3S — CID 47267367

IUPAC2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2)CC(C)O1
InChIInChI=1S/C9H15N3O3S/c1-7-5-12(6-8(2)15-7)16(13,14)9-3-10-11-4-9/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)
InChIKeyPBXRNVXOGQYCNY-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.21
Rot. Bonds2

About 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine

2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (PubChem CID 47267367) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
PubChem CID47267367
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2)CC(C)O1
InChIInChI=1S/C9H15N3O3S/c1-7-5-12(6-8(2)15-7)16(13,14)9-3-10-11-4-9/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)
InChIKeyPBXRNVXOGQYCNY-UHFFFAOYSA-N
XLogP0.21
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (CID 47267367) is 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is CC1CN(S(=O)(=O)c2cn[nH]c2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The InChIKey is PBXRNVXOGQYCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-5-12(6-8(2)15-7)16(13,14)9-3-10-11-4-9/h3-4,7-8H,5-6H2,1-2H3,(H,10,11).
What are the key properties of 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine has a molecular weight of 245.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is sourced from PubChem (CID 47267367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).