1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide

C14H24N4O4S — CID 94025288

IUPAC1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1
InChIInChI=1S/C14H24N4O4S/c1-17-10-13(8-15-17)23(19,20)16-9-14(12-2-5-22-11-12)18-3-6-21-7-4-18/h8,10,12,14,16H,2-7,9,11H2,1H3/t12-,14-/m1/s1
InChIKeyNWFWUVUDSREEBV-TZMCWYRMSA-N
MW344.44 g/mol
LogP-0.56
Rot. Bonds6

About 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide

1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 94025288) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID94025288
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1
InChIInChI=1S/C14H24N4O4S/c1-17-10-13(8-15-17)23(19,20)16-9-14(12-2-5-22-11-12)18-3-6-21-7-4-18/h8,10,12,14,16H,2-7,9,11H2,1H3/t12-,14-/m1/s1
InChIKeyNWFWUVUDSREEBV-TZMCWYRMSA-N
XLogP-0.56
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Ethyl-4-({1-methyl-decahydropyrido[3,4-E][1,4]oxazepin-8-YL}sulfonyl)-1H-pyrazole
CID 91915784
1,5-anhydro-3-O-(cyclobutylmethyl)-2,4-dideoxy-4-{[(1-propyl-1H-pyrazol-4-yl)sulfonyl]amino}-D-erythro-pentitol
CID 91769419
2-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 91910516
1-ethyl-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 96468030
1-ethyl-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]pyrazole-4-sulfonamide
CID 129619399
N-[(1S,5S,6R,7S)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-ethylpyrazole-4-sulfonamide
CID 164631786
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide
CID 99823906
1-(2,2-difluoroethyl)-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-sulfonamide
CID 99823907
1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120778345
1-(oxolan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-sulfonamide
CID 120778346
N-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 121709915
N-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 121709916

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide (CID 94025288) is 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cn1.
What is the InChIKey of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is NWFWUVUDSREEBV-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-17-10-13(8-15-17)23(19,20)16-9-14(12-2-5-22-11-12)18-3-6-21-7-4-18/h8,10,12,14,16H,2-7,9,11H2,1H3/t12-,14-/m1/s1.
What are the key properties of 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of -0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 94025288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).