3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide

C14H24N6O5S2 — CID 52987336

IUPAC3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide
SMILESCC1NNC(C)C1S(=O)(=O)NNc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C14H24N6O5S2/c1-10-14(11(2)17-16-10)26(21,22)19-18-13-4-3-12(9-15-13)27(23,24)20-5-7-25-8-6-20/h3-4,9-11,14,16-17,19H,5-8H2,1-2H3,(H,15,18)
InChIKeyDEHGMCMQZOITCZ-UHFFFAOYSA-N
MW420.52 g/mol
LogP-1.40
Rot. Bonds6

About 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide

3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide (PubChem CID 52987336) has the molecular formula C14H24N6O5S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide
PubChem CID52987336
Molecular FormulaC14H24N6O5S2
Molecular Weight420.52 g/mol
Exact Mass420.12
IUPAC Name3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide
SMILESCC1NNC(C)C1S(=O)(=O)NNc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C14H24N6O5S2/c1-10-14(11(2)17-16-10)26(21,22)19-18-13-4-3-12(9-15-13)27(23,24)20-5-7-25-8-6-20/h3-4,9-11,14,16-17,19H,5-8H2,1-2H3,(H,15,18)
InChIKeyDEHGMCMQZOITCZ-UHFFFAOYSA-N
XLogP-1.40
TPSA141.76 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070
N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9311729
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
N-(4-methylphenyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268105
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
5-morpholin-4-ylsulfonylpyridine-2-thiolate
CID 7063956
N-cyclohex-3-en-1-yl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133322670
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 39338201
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9195220
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide?
The IUPAC name of 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide (CID 52987336) is 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide.
What is the SMILES notation for 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide?
The canonical SMILES for 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide is CC1NNC(C)C1S(=O)(=O)NNc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide?
The InChIKey is DEHGMCMQZOITCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O5S2/c1-10-14(11(2)17-16-10)26(21,22)19-18-13-4-3-12(9-15-13)27(23,24)20-5-7-25-8-6-20/h3-4,9-11,14,16-17,19H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide?
3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide has a molecular weight of 420.52 g/mol, XLogP of -1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrazolidine-4-sulfonohydrazide is sourced from PubChem (CID 52987336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).