3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride

C16H29ClN4O4S — CID 146065158

IUPAC3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N(CCN1CCOCC1)C1CCCNC1.Cl
InChIInChI=1S/C16H28N4O4S.ClH/c1-13-16(14(2)24-18-13)25(21,22)20(15-4-3-5-17-12-15)7-6-19-8-10-23-11-9-19;/h15,17H,3-12H2,1-2H3;1H
InChIKeyHXZNMFMADWKMJX-UHFFFAOYSA-N
MW408.95 g/mol
LogP0.79
Rot. Bonds6

About 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride

3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride (PubChem CID 146065158) has the molecular formula C16H29ClN4O4S and a molecular weight of 408.95 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride
PubChem CID146065158
Molecular FormulaC16H29ClN4O4S
Molecular Weight408.95 g/mol
Exact Mass408.16
IUPAC Name3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N(CCN1CCOCC1)C1CCCNC1.Cl
InChIInChI=1S/C16H28N4O4S.ClH/c1-13-16(14(2)24-18-13)25(21,22)20(15-4-3-5-17-12-15)7-6-19-8-10-23-11-9-19;/h15,17H,3-12H2,1-2H3;1H
InChIKeyHXZNMFMADWKMJX-UHFFFAOYSA-N
XLogP0.79
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride with MolForge

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Related Compounds

3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 146065152
3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119993772
3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 146065125
N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174
N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 146065216
4-ethoxy-N-pyrrolidin-3-yl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 146065088
4-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]morpholine
CID 168996153
4-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-3,5-dimethyl-1,2-oxazole
CID 120719401
N-ethyl-N-piperidin-3-yloxane-4-sulfonamide
CID 55031572
N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 146065101
N,3,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119967422
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461302

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride (CID 146065158) is 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride is Cc1noc(C)c1S(=O)(=O)N(CCN1CCOCC1)C1CCCNC1.Cl.
What is the InChIKey of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride?
The InChIKey is HXZNMFMADWKMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4S.ClH/c1-13-16(14(2)24-18-13)25(21,22)20(15-4-3-5-17-12-15)7-6-19-8-10-23-11-9-19;/h15,17H,3-12H2,1-2H3;1H.
What are the key properties of 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride?
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride has a molecular weight of 408.95 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 146065158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).