N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C19H29N3O5S2 — CID 21004882

IUPACN-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCC1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCC(C)(C)N3CCCCC3)cc2)C1=O
InChIInChI=1S/C19H29N3O5S2/c1-15-13-28(24,25)22(18(15)23)16-7-9-17(10-8-16)29(26,27)20-14-19(2,3)21-11-5-4-6-12-21/h7-10,15,20H,4-6,11-14H2,1-3H3
InChIKeyNYQYMXLXEBACMW-UHFFFAOYSA-N
MW443.59 g/mol
LogP1.54
Rot. Bonds6

About N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21004882) has the molecular formula C19H29N3O5S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21004882
Molecular FormulaC19H29N3O5S2
Molecular Weight443.59 g/mol
Exact Mass443.15
IUPAC NameN-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCC1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCC(C)(C)N3CCCCC3)cc2)C1=O
InChIInChI=1S/C19H29N3O5S2/c1-15-13-28(24,25)22(18(15)23)16-7-9-17(10-8-16)29(26,27)20-14-19(2,3)21-11-5-4-6-12-21/h7-10,15,20H,4-6,11-14H2,1-3H3
InChIKeyNYQYMXLXEBACMW-UHFFFAOYSA-N
XLogP1.54
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21004882) is N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CC1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCC(C)(C)N3CCCCC3)cc2)C1=O.
What is the InChIKey of N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is NYQYMXLXEBACMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S2/c1-15-13-28(24,25)22(18(15)23)16-7-9-17(10-8-16)29(26,27)20-14-19(2,3)21-11-5-4-6-12-21/h7-10,15,20H,4-6,11-14H2,1-3H3.
What are the key properties of N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 443.59 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21004882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).