N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide

C12H21N3O3S — CID 106338931

IUPACN,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide
SMILESCC(C)Oc1cccnc1NCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H21N3O3S/c1-10(2)18-11-6-5-7-13-12(11)14-8-9-19(16,17)15(3)4/h5-7,10H,8-9H2,1-4H3,(H,13,14)
InChIKeyJFNSFJXWOUYFGF-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.17
Rot. Bonds7

About N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide

N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide (PubChem CID 106338931) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide
PubChem CID106338931
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide
SMILESCC(C)Oc1cccnc1NCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H21N3O3S/c1-10(2)18-11-6-5-7-13-12(11)14-8-9-19(16,17)15(3)4/h5-7,10H,8-9H2,1-4H3,(H,13,14)
InChIKeyJFNSFJXWOUYFGF-UHFFFAOYSA-N
XLogP1.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yloxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113450392
1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
CID 106127389
N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-yloxypyridin-2-amine
CID 102914136
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
CID 106048859
N-[(4-ethylphenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 106900068
N-[2-(1-methylpyrazol-3-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
CID 106105523
3-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 114169605
methyl 3-[2-(dimethylsulfamoyl)ethylamino]pyridine-2-carboxylate
CID 58977998
3-[2-(dimethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 114176023
3-ethyl-1-[(3-propan-2-yloxy-2-pyridinyl)amino]pentan-2-ol
CID 106287839
2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335143
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylethanesulfonamide
CID 106334507

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide (CID 106338931) is N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide is CC(C)Oc1cccnc1NCCS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide?
The InChIKey is JFNSFJXWOUYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10(2)18-11-6-5-7-13-12(11)14-8-9-19(16,17)15(3)4/h5-7,10H,8-9H2,1-4H3,(H,13,14).
What are the key properties of N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide?
N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide is sourced from PubChem (CID 106338931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).