N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide

C16H23N5O4S — CID 7919254

IUPACN,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide
SMILESC[C@@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)N1CCCCC1
InChIInChI=1S/C16H23N5O4S/c1-12(16(22)20-9-5-4-6-10-20)25-21-15-11-13(26(23,24)19(2)3)7-8-14(15)17-18-21/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyTWGPWBTVLJZDPY-GFCCVEGCSA-N
MW381.46 g/mol
LogP0.51
Rot. Bonds5

About N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide

N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide (PubChem CID 7919254) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide
PubChem CID7919254
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC NameN,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide
SMILESC[C@@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)N1CCCCC1
InChIInChI=1S/C16H23N5O4S/c1-12(16(22)20-9-5-4-6-10-20)25-21-15-11-13(26(23,24)19(2)3)7-8-14(15)17-18-21/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m1/s1
InChIKeyTWGPWBTVLJZDPY-GFCCVEGCSA-N
XLogP0.51
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511902
N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511911
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
CID 7696323
3-[(4-tert-butylphenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 7696557
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753689
2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18285374
2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(4-phenylbutan-2-yl)propanamide
CID 42977235
4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 24607409
3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 4805334
4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351370
2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16545352

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide (CID 7919254) is N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide is C[C@@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)N1CCCCC1.
What is the InChIKey of N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide?
The InChIKey is TWGPWBTVLJZDPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-12(16(22)20-9-5-4-6-10-20)25-21-15-11-13(26(23,24)19(2)3)7-8-14(15)17-18-21/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide?
N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide has a molecular weight of 381.46 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide is sourced from PubChem (CID 7919254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).