N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide

C13H27N3O2S — CID 20930307

IUPACN,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-14(2)19(17,18)16-10-6-13(7-11-16)12-15-8-4-3-5-9-15/h13H,3-12H2,1-2H3
InChIKeyQHYDAWVGPAFKNY-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.99
Rot. Bonds4

About N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide

N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide (PubChem CID 20930307) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide
PubChem CID20930307
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-14(2)19(17,18)16-10-6-13(7-11-16)12-15-8-4-3-5-9-15/h13H,3-12H2,1-2H3
InChIKeyQHYDAWVGPAFKNY-UHFFFAOYSA-N
XLogP0.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-Methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
CID 3234668
1,1'-Sulfonyldipiperidine
CID 224671
N,N,4-trimethylpiperidine-1-sulfonamide
CID 224932
1-[(1-Ethylsulfonylpiperidin-4-yl)methyl]-4-methylpiperidine
CID 46287341
4-[3-(Diethylamino)propyl]piperidine-1-sulfonamide
CID 75501813
4-[(Dimethylamino)sulfonyl]-1-[(4-methylpiperidyl)sulfonyl]piperazine
CID 6499820
N,N-dimethyl-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-sulfonamide
CID 20930311
N,N,3-trimethylpiperidine-1-sulfonamide
CID 4627296
2-Ethyl-6-(2-piperidin-4-ylethyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 20434898
1-Methyl-4-[(piperidin-1-yl)methyl]piperidine
CID 20673700
1-Methyl-4-(2-piperidin-1-ylethyl)piperidine
CID 21129708
1-Piperidinesulfonamide, 4-ethyl-
CID 45080629

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide (CID 20930307) is N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is QHYDAWVGPAFKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-14(2)19(17,18)16-10-6-13(7-11-16)12-15-8-4-3-5-9-15/h13H,3-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide?
N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(piperidin-1-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 20930307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).