N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide

C12H27N3O2S — CID 106334875

IUPACN,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(=O)(=O)N(C)C)C1CCCN(C)C1
InChIInChI=1S/C12H27N3O2S/c1-11(12-6-5-8-15(4)10-12)13-7-9-18(16,17)14(2)3/h11-13H,5-10H2,1-4H3
InChIKeyTWUDXQMVIPFUIH-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.20
Rot. Bonds6

About N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide

N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide (PubChem CID 106334875) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
PubChem CID106334875
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(=O)(=O)N(C)C)C1CCCN(C)C1
InChIInChI=1S/C12H27N3O2S/c1-11(12-6-5-8-15(4)10-12)13-7-9-18(16,17)14(2)3/h11-13H,5-10H2,1-4H3
InChIKeyTWUDXQMVIPFUIH-UHFFFAOYSA-N
XLogP0.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
CID 103776667
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 107094221
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245567
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274
N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
CID 103903615

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide (CID 106334875) is N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide is CC(NCCS(=O)(=O)N(C)C)C1CCCN(C)C1.
What is the InChIKey of N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide?
The InChIKey is TWUDXQMVIPFUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(12-6-5-8-15(4)10-12)13-7-9-18(16,17)14(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide?
N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 106334875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).