3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide

C12H18N2O3S — CID 131923133

IUPAC3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
SMILESCS(=O)(=O)CCC(=O)NCCCc1ccccn1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)10-7-12(15)14-9-4-6-11-5-2-3-8-13-11/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,14,15)
InChIKeyCCBXVOSYETWVBA-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.57
Rot. Bonds7

About 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide

3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide (PubChem CID 131923133) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
PubChem CID131923133
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
SMILESCS(=O)(=O)CCC(=O)NCCCc1ccccn1
InChIInChI=1S/C12H18N2O3S/c1-18(16,17)10-7-12(15)14-9-4-6-11-5-2-3-8-13-11/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,14,15)
InChIKeyCCBXVOSYETWVBA-UHFFFAOYSA-N
XLogP0.57
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide
CID 91780050
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
N-(3-pyridin-2-ylpropyl)-2-thiophen-2-ylacetamide
CID 110660977
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-[4-(2-chlorophenyl)butyl]-3-methylsulfonylpropanamide
CID 110607257
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide?
The IUPAC name of 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide (CID 131923133) is 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide?
The canonical SMILES for 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide is CS(=O)(=O)CCC(=O)NCCCc1ccccn1.
What is the InChIKey of 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide?
The InChIKey is CCBXVOSYETWVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(16,17)10-7-12(15)14-9-4-6-11-5-2-3-8-13-11/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,14,15).
What are the key properties of 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide?
3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide has a molecular weight of 270.35 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide is sourced from PubChem (CID 131923133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).