N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide

C9H20N2O4S2 — CID 110736099

IUPACN,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O4S2/c1-10(2)17(14,15)11-6-4-9(5-7-11)8-16(3,12)13/h9H,4-8H2,1-3H3
InChIKeySNDDIEGVOQEVMC-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.45
Rot. Bonds4

About N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide

N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide (PubChem CID 110736099) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide
PubChem CID110736099
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O4S2/c1-10(2)17(14,15)11-6-4-9(5-7-11)8-16(3,12)13/h9H,4-8H2,1-3H3
InChIKeySNDDIEGVOQEVMC-UHFFFAOYSA-N
XLogP-0.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
4-[(tert-butylamino)methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 55258202
ethane;1-methyl-4-(methylsulfonylmethyl)piperidine
CID 145006489
4-(methylsulfonylmethyl)piperidin-1-amine
CID 130735620
3-(cyanomethyl)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 131196763
N,N-dimethyl-4-piperidin-4-ylpiperidine-1-sulfonamide
CID 25219516
N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide;ethane;1-methylsulfonyl-4-propan-2-ylpiperidine
CID 170610918
[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid
CID 66819444
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
4-chloro-N,N-dimethylazepane-1-sulfonamide
CID 131107442
cyclopropyl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736017
(4S)-4-[(5-aminopyrazin-2-yl)methyl]-N,N-dimethylazepane-1-sulfonamide
CID 124961659

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide (CID 110736099) is N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(CS(C)(=O)=O)CC1.
What is the InChIKey of N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide?
The InChIKey is SNDDIEGVOQEVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-10(2)17(14,15)11-6-4-9(5-7-11)8-16(3,12)13/h9H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide?
N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(methylsulfonylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 110736099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).