3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide

C14H22N2O3S — CID 51085822

IUPAC3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)NC(C)c1cccnc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)10-20(18,19)8-6-14(17)16-12(3)13-5-4-7-15-9-13/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,16,17)
InChIKeyDOFHMEAJGWTYMM-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.72
Rot. Bonds7

About 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide

3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide (PubChem CID 51085822) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide
PubChem CID51085822
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)NC(C)c1cccnc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)10-20(18,19)8-6-14(17)16-12(3)13-5-4-7-15-9-13/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,16,17)
InChIKeyDOFHMEAJGWTYMM-UHFFFAOYSA-N
XLogP1.72
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404464
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 94172680
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide?
The IUPAC name of 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide (CID 51085822) is 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide is CC(C)CS(=O)(=O)CCC(=O)NC(C)c1cccnc1.
What is the InChIKey of 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide?
The InChIKey is DOFHMEAJGWTYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)10-20(18,19)8-6-14(17)16-12(3)13-5-4-7-15-9-13/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,16,17).
What are the key properties of 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide?
3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfonyl)-N-(1-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 51085822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).