6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide

C13H21N5O4S — CID 162636079

IUPAC6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)nn1
InChIInChI=1S/C13H21N5O4S/c1-14-13(19)10-4-5-12(17-16-10)15-11-7-22-6-9(11)8-23(20,21)18(2)3/h4-5,9,11H,6-8H2,1-3H3,(H,14,19)(H,15,17)/t9-,11-/m0/s1
InChIKeyCRIFSZMNEVSGRS-ONGXEEELSA-N
MW343.41 g/mol
LogP-0.85
Rot. Bonds6

About 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide

6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 162636079) has the molecular formula C13H21N5O4S and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID162636079
Molecular FormulaC13H21N5O4S
Molecular Weight343.41 g/mol
Exact Mass343.13
IUPAC Name6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)nn1
InChIInChI=1S/C13H21N5O4S/c1-14-13(19)10-4-5-12(17-16-10)15-11-7-22-6-9(11)8-23(20,21)18(2)3/h4-5,9,11H,6-8H2,1-3H3,(H,14,19)(H,15,17)/t9-,11-/m0/s1
InChIKeyCRIFSZMNEVSGRS-ONGXEEELSA-N
XLogP-0.85
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135117620
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046
methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate
CID 162625903
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethylpyridine-3-carboxamide
CID 135095221
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 135111929
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 135111202
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide
CID 135095881
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(hydroxymethyl)benzamide
CID 135089086

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide (CID 162636079) is 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)nn1.
What is the InChIKey of 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is CRIFSZMNEVSGRS-ONGXEEELSA-N. The full InChI is InChI=1S/C13H21N5O4S/c1-14-13(19)10-4-5-12(17-16-10)15-11-7-22-6-9(11)8-23(20,21)18(2)3/h4-5,9,11H,6-8H2,1-3H3,(H,14,19)(H,15,17)/t9-,11-/m0/s1.
What are the key properties of 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide?
6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 162636079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).