4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide

C19H29N3O6S2 — CID 45354773

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N(C3CCS(=O)(=O)C3)N(C)C)cc2)CC(C)O1
InChIInChI=1S/C19H29N3O6S2/c1-14-11-21(12-15(2)28-14)30(26,27)18-7-5-16(6-8-18)19(23)22(20(3)4)17-9-10-29(24,25)13-17/h5-8,14-15,17H,9-13H2,1-4H3
InChIKeyCJSZVUQXEJLYRN-UHFFFAOYSA-N
MW459.59 g/mol
LogP0.59
Rot. Bonds5

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide (PubChem CID 45354773) has the molecular formula C19H29N3O6S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide
PubChem CID45354773
Molecular FormulaC19H29N3O6S2
Molecular Weight459.59 g/mol
Exact Mass459.15
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N(C3CCS(=O)(=O)C3)N(C)C)cc2)CC(C)O1
InChIInChI=1S/C19H29N3O6S2/c1-14-11-21(12-15(2)28-14)30(26,27)18-7-5-16(6-8-18)19(23)22(20(3)4)17-9-10-29(24,25)13-17/h5-8,14-15,17H,9-13H2,1-4H3
InChIKeyCJSZVUQXEJLYRN-UHFFFAOYSA-N
XLogP0.59
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide with MolForge

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Related Compounds

N-cyclopentyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51268305
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 25472798
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51222796
N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide
CID 78785878
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethylbenzohydrazide
CID 40842810
4-acetyl-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 3738114
N-[2-(tert-butylamino)-2-oxoethyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylbenzamide
CID 9193663
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 45353788
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide (CID 45354773) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide is CC1CN(S(=O)(=O)c2ccc(C(=O)N(C3CCS(=O)(=O)C3)N(C)C)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide?
The InChIKey is CJSZVUQXEJLYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6S2/c1-14-11-21(12-15(2)28-14)30(26,27)18-7-5-16(6-8-18)19(23)22(20(3)4)17-9-10-29(24,25)13-17/h5-8,14-15,17H,9-13H2,1-4H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide has a molecular weight of 459.59 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 45354773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).