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

C10H20N4O2S — CID 106335969

IUPACN,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(=O)(=O)N(C)C)c1nccn1C
InChIInChI=1S/C10H20N4O2S/c1-9(10-12-5-7-14(10)4)11-6-8-17(15,16)13(2)3/h5,7,9,11H,6,8H2,1-4H3
InChIKeyBUPCWDMHDDKUGG-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.04
Rot. Bonds6

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

N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide (PubChem CID 106335969) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
PubChem CID106335969
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(=O)(=O)N(C)C)c1nccn1C
InChIInChI=1S/C10H20N4O2S/c1-9(10-12-5-7-14(10)4)11-6-8-17(15,16)13(2)3/h5,7,9,11H,6,8H2,1-4H3
InChIKeyBUPCWDMHDDKUGG-UHFFFAOYSA-N
XLogP-0.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63024504
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642
tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913871
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine
CID 103914331
(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 97177613
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 71635426
2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335143
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide (CID 106335969) is N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide is CC(NCCS(=O)(=O)N(C)C)c1nccn1C.
What is the InChIKey of N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide?
The InChIKey is BUPCWDMHDDKUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-9(10-12-5-7-14(10)4)11-6-8-17(15,16)13(2)3/h5,7,9,11H,6,8H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide?
N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 106335969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).