(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide

C11H17N3O3S — CID 110347921

IUPAC(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCS(=O)(=O)N[C@@H](C)C(=O)NCc1cccnc1
InChIInChI=1S/C11H17N3O3S/c1-3-18(16,17)14-9(2)11(15)13-8-10-5-4-6-12-7-10/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyBSFGUTDKTISXIN-VIFPVBQESA-N
MW271.34 g/mol
LogP0.03
Rot. Bonds6

About (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide

(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110347921) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110347921
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCS(=O)(=O)N[C@@H](C)C(=O)NCc1cccnc1
InChIInChI=1S/C11H17N3O3S/c1-3-18(16,17)14-9(2)11(15)13-8-10-5-4-6-12-7-10/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyBSFGUTDKTISXIN-VIFPVBQESA-N
XLogP0.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347969
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347926
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347968
(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351535
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(2S)-2-(dimethylsulfamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348899
(2S)-3-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)butanamide
CID 110348925
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide
CID 110351555

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide (CID 110347921) is (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide is CCS(=O)(=O)N[C@@H](C)C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is BSFGUTDKTISXIN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-18(16,17)14-9(2)11(15)13-8-10-5-4-6-12-7-10/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 271.34 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110347921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).