N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide

C18H28N2O3S2 — CID 119442348

IUPACN-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C18H28N2O3S2/c1-4-13-25(22,23)17-8-6-5-7-16(17)24-14(2)18(21)20(3)15-9-11-19-12-10-15/h5-8,14-15,19H,4,9-13H2,1-3H3
InChIKeyICAZZBNRZKSXSG-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.56
Rot. Bonds7

About N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide

N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide (PubChem CID 119442348) has the molecular formula C18H28N2O3S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide
PubChem CID119442348
Molecular FormulaC18H28N2O3S2
Molecular Weight384.57 g/mol
Exact Mass384.15
IUPAC NameN-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide
SMILESCCCS(=O)(=O)c1ccccc1SC(C)C(=O)N(C)C1CCNCC1
InChIInChI=1S/C18H28N2O3S2/c1-4-13-25(22,23)17-8-6-5-7-16(17)24-14(2)18(21)20(3)15-9-11-19-12-10-15/h5-8,14-15,19H,4,9-13H2,1-3H3
InChIKeyICAZZBNRZKSXSG-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119387404
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119654069
N-(2-amino-2-methylpropyl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide
CID 119627451
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
N,3-dimethyl-2-phenyl-N-piperidin-4-ylpentanamide
CID 43602183
N-(1-amino-2-methylpropan-2-yl)-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 119522650
N-[2-(methylamino)propyl]-2-(2-propylsulfonylphenyl)sulfanylpropanamide;hydrochloride
CID 120832590
N-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 126808400
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443855
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 119552617
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
2-ethoxy-N-methyl-N-piperidin-4-ylpropanamide
CID 119444012

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide (CID 119442348) is N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide is CCCS(=O)(=O)c1ccccc1SC(C)C(=O)N(C)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
The InChIKey is ICAZZBNRZKSXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S2/c1-4-13-25(22,23)17-8-6-5-7-16(17)24-14(2)18(21)20(3)15-9-11-19-12-10-15/h5-8,14-15,19H,4,9-13H2,1-3H3.
What are the key properties of N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide?
N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide has a molecular weight of 384.57 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-(2-propylsulfonylphenyl)sulfanylpropanamide is sourced from PubChem (CID 119442348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).