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

C12H18N2OS — CID 115168144

IUPACN-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
SMILESCC(C)(CNC(=O)CCS)c1cccnc1
InChIInChI=1S/C12H18N2OS/c1-12(2,9-14-11(15)5-7-16)10-4-3-6-13-8-10/h3-4,6,8,16H,5,7,9H2,1-2H3,(H,14,15)
InChIKeyAYRFLZRQFLTZPL-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.80
Rot. Bonds5

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

N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide (PubChem CID 115168144) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
PubChem CID115168144
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
SMILESCC(C)(CNC(=O)CCS)c1cccnc1
InChIInChI=1S/C12H18N2OS/c1-12(2,9-14-11(15)5-7-16)10-4-3-6-13-8-10/h3-4,6,8,16H,5,7,9H2,1-2H3,(H,14,15)
InChIKeyAYRFLZRQFLTZPL-UHFFFAOYSA-N
XLogP1.80
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.80
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

4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
N-(2-methyl-2-pyridin-3-ylpropyl)-3-oxobutanamide
CID 115176671
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
CID 115173451
2-methyl-4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115165229
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093
N-[2-(4-bromophenyl)-2-methylpropyl]-3-sulfanylpropanamide
CID 115168128
3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
4-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115157165
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115186797
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoic acid
CID 115218841

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide?
The IUPAC name of N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide (CID 115168144) is N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide is CC(C)(CNC(=O)CCS)c1cccnc1.
What is the InChIKey of N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide?
The InChIKey is AYRFLZRQFLTZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-12(2,9-14-11(15)5-7-16)10-4-3-6-13-8-10/h3-4,6,8,16H,5,7,9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide?
N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide has a molecular weight of 238.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide is sourced from PubChem (CID 115168144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).