2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine

C9H15N3O3S — CID 47267384

IUPAC2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2)C(C)CO1
InChIInChI=1S/C9H15N3O3S/c1-7-6-15-8(2)5-12(7)16(13,14)9-3-10-11-4-9/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)
InChIKeyKKSAAJMRAAKKRR-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.21
Rot. Bonds2

About 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine

2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (PubChem CID 47267384) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.

Molecular Properties

Compound Name2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
PubChem CID47267384
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)c2cn[nH]c2)C(C)CO1
InChIInChI=1S/C9H15N3O3S/c1-7-6-15-8(2)5-12(7)16(13,14)9-3-10-11-4-9/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)
InChIKeyKKSAAJMRAAKKRR-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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Related Compounds

2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholine
CID 60910831
(2S)-2-(piperidin-1-ylmethyl)-4-(1H-pyrazol-4-ylsulfonyl)-1,4-oxazepane
CID 164642938
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959701
4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 60911162
4-(1H-pyrazol-4-ylmethylsulfonyl)morpholine
CID 175255076
3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 47267296
2,6-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 47267367
N-(3-morpholin-4-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47267374
N-(2-ethoxyethyl)-1H-pyrazole-4-sulfonamide
CID 47267412
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-sulfonamide
CID 47267549
N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 47268214
N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
CID 47268217

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The IUPAC name of 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine (CID 47267384) is 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine.
What is the SMILES notation for 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The canonical SMILES for 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is CC1CN(S(=O)(=O)c2cn[nH]c2)C(C)CO1.
What is the InChIKey of 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
The InChIKey is KKSAAJMRAAKKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7-6-15-8(2)5-12(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 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine?
2,5-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 2,5-dimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine is sourced from PubChem (CID 47267384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).