N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C19H29N3O3S — CID 112502519

IUPACN-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC1CCN(C(C)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15-9-12-21(13-10-15)16(2)14-20-26(24,25)18-7-5-17(6-8-18)22-11-3-4-19(22)23/h5-8,15-16,20H,3-4,9-14H2,1-2H3
InChIKeyIOBAVAGEXONXSO-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 112502519) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID112502519
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC1CCN(C(C)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15-9-12-21(13-10-15)16(2)14-20-26(24,25)18-7-5-17(6-8-18)22-11-3-4-19(22)23/h5-8,15-16,20H,3-4,9-14H2,1-2H3
InChIKeyIOBAVAGEXONXSO-UHFFFAOYSA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38258725
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38258721
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
6-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]pyridine-3-sulfonamide
CID 86767944
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019456
N-[(2R)-2-pyrrolidin-1-ylpropyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42343400
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019455
N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51853447
N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110356537
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 112502519) is N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CC1CCN(C(C)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is IOBAVAGEXONXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-9-12-21(13-10-15)16(2)14-20-26(24,25)18-7-5-17(6-8-18)22-11-3-4-19(22)23/h5-8,15-16,20H,3-4,9-14H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 112502519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).