N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

C18H30N3O3S+ — CID 8583324

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCCC[C@H]2C)c1
InChIInChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)17-11-8-10-16(13-17)19-18(22)14-20-12-7-6-9-15(20)3/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,19,22)/p+1/t15-/m1/s1
InChIKeyYLYBOTZJBHQPSU-OAHLLOKOSA-O
MW368.52 g/mol
LogP1.11
Rot. Bonds7

About N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8583324) has the molecular formula C18H30N3O3S+ and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID8583324
Molecular FormulaC18H30N3O3S+
Molecular Weight368.52 g/mol
Exact Mass368.20
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCCC[C@H]2C)c1
InChIInChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)17-11-8-10-16(13-17)19-18(22)14-20-12-7-6-9-15(20)3/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,19,22)/p+1/t15-/m1/s1
InChIKeyYLYBOTZJBHQPSU-OAHLLOKOSA-O
XLogP1.11
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2698019
N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8623367
1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7809321
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2482970
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
ethyl (3R)-1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8532936
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697951
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899897
N-[3-(diethylsulfamoyl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 55499255

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 8583324) is N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCCC[C@H]2C)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is YLYBOTZJBHQPSU-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H29N3O3S/c1-4-21(5-2)25(23,24)17-11-8-10-16(13-17)19-18(22)14-20-12-7-6-9-15(20)3/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,19,22)/p+1/t15-/m1/s1.
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 368.52 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8583324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).