N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide

C12H18N2O3S — CID 131895144

IUPACN-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide
SMILESCc1cccnc1C(C)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-5-4-7-13-12(9)10(2)14-11(15)6-8-18(3,16)17/h4-5,7,10H,6,8H2,1-3H3,(H,14,15)
InChIKeySDKDQRBYHJPNOS-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.00
Rot. Bonds5

About N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide

N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide (PubChem CID 131895144) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide
PubChem CID131895144
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide
SMILESCc1cccnc1C(C)NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C12H18N2O3S/c1-9-5-4-7-13-12(9)10(2)14-11(15)6-8-18(3,16)17/h4-5,7,10H,6,8H2,1-3H3,(H,14,15)
InChIKeySDKDQRBYHJPNOS-UHFFFAOYSA-N
XLogP1.00
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide (CID 131895144) is N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide is Cc1cccnc1C(C)NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide?
The InChIKey is SDKDQRBYHJPNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-5-4-7-13-12(9)10(2)14-11(15)6-8-18(3,16)17/h4-5,7,10H,6,8H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide?
N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-2-pyridinyl)ethyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 131895144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).