2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide

C11H19N3O2S — CID 54973657

IUPAC2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NCc1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-10(2)13-6-7-17(15,16)14-9-11-4-3-5-12-8-11/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyTXGRKJDBEINYED-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.50
Rot. Bonds7

About 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide

2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 54973657) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID54973657
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCC(C)NCCS(=O)(=O)NCc1cccnc1
InChIInChI=1S/C11H19N3O2S/c1-10(2)13-6-7-17(15,16)14-9-11-4-3-5-12-8-11/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyTXGRKJDBEINYED-UHFFFAOYSA-N
XLogP0.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 114701089
2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]furan-2-carboxamide
CID 44995255
N-[(3-methyl-2-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63309364
2,5-dimethyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide
CID 110345197
2-propan-2-ylsulfonyl-N-(pyridin-3-ylmethyl)ethanamine
CID 106513112
5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 106030787
4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 7618448
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 44995257
2-(3-methylbutan-2-ylsulfonyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 107757364
1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 106030794

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 54973657) is 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide is CC(C)NCCS(=O)(=O)NCc1cccnc1.
What is the InChIKey of 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is TXGRKJDBEINYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-10(2)13-6-7-17(15,16)14-9-11-4-3-5-12-8-11/h3-5,8,10,13-14H,6-7,9H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 54973657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).