2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide

C14H22N6O3S — CID 154761061

IUPAC2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide
SMILESCN1CCO[C@@H](CNS(=O)(=O)c2ccnn2C)[C@@H]1c1cncn1C
InChIInChI=1S/C14H22N6O3S/c1-18-6-7-23-12(14(18)11-8-15-10-19(11)2)9-17-24(21,22)13-4-5-16-20(13)3/h4-5,8,10,12,14,17H,6-7,9H2,1-3H3/t12-,14-/m0/s1
InChIKeyZCHWEYQHDDEIKF-JSGCOSHPSA-N
MW354.44 g/mol
LogP-0.50
Rot. Bonds5

About 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide

2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide (PubChem CID 154761061) has the molecular formula C14H22N6O3S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide
PubChem CID154761061
Molecular FormulaC14H22N6O3S
Molecular Weight354.44 g/mol
Exact Mass354.15
IUPAC Name2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide
SMILESCN1CCO[C@@H](CNS(=O)(=O)c2ccnn2C)[C@@H]1c1cncn1C
InChIInChI=1S/C14H22N6O3S/c1-18-6-7-23-12(14(18)11-8-15-10-19(11)2)9-17-24(21,22)13-4-5-16-20(13)3/h4-5,8,10,12,14,17H,6-7,9H2,1-3H3/t12-,14-/m0/s1
InChIKeyZCHWEYQHDDEIKF-JSGCOSHPSA-N
XLogP-0.50
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine
CID 66118550
6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide
CID 154801391
2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
CID 128977860
7-fluoro-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]isoquinolin-1-amine
CID 154761070
[(2S,3S)-4-methyl-3-(2-methylpyrazol-3-yl)morpholin-2-yl]methanamine
CID 124602691
N-[(3-aminocyclopentyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 114146761
2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide
CID 104710228
N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710326
N-cyclopentyl-2-methylpyrazole-3-sulfonamide
CID 104709770
N-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 128511768
N-[[3-(2-ethylpyrazol-3-yl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 114557715
[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine
CID 66161936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide (CID 154761061) is 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide is CN1CCO[C@@H](CNS(=O)(=O)c2ccnn2C)[C@@H]1c1cncn1C.
What is the InChIKey of 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide?
The InChIKey is ZCHWEYQHDDEIKF-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H22N6O3S/c1-18-6-7-23-12(14(18)11-8-15-10-19(11)2)9-17-24(21,22)13-4-5-16-20(13)3/h4-5,8,10,12,14,17H,6-7,9H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide?
2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide has a molecular weight of 354.44 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 154761061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).