2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide

C10H14N2OS — CID 88670625

IUPAC2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
SMILESCC(CS)C(=O)NCc1cccnc1
InChIInChI=1S/C10H14N2OS/c1-8(7-14)10(13)12-6-9-3-2-4-11-5-9/h2-5,8,14H,6-7H2,1H3,(H,12,13)
InChIKeyGYIOXPFHUHULDH-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide

2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide (PubChem CID 88670625) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
PubChem CID88670625
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
SMILESCC(CS)C(=O)NCc1cccnc1
InChIInChI=1S/C10H14N2OS/c1-8(7-14)10(13)12-6-9-3-2-4-11-5-9/h2-5,8,14H,6-7H2,1H3,(H,12,13)
InChIKeyGYIOXPFHUHULDH-UHFFFAOYSA-N
XLogP1.26
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 112515558
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351478
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide?
The IUPAC name of 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide (CID 88670625) is 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide is CC(CS)C(=O)NCc1cccnc1.
What is the InChIKey of 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide?
The InChIKey is GYIOXPFHUHULDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8(7-14)10(13)12-6-9-3-2-4-11-5-9/h2-5,8,14H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide?
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide has a molecular weight of 210.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 88670625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).