N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide

C13H22N4O2S — CID 901903

IUPACN-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C13H22N4O2S/c1-11(2)16-6-8-17(9-7-16)12-4-5-15-10-13(12)20(18,19)14-3/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyXDTSIKVFQRRICD-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.52
Rot. Bonds4

About N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide

N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 901903) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID901903
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1
InChIInChI=1S/C13H22N4O2S/c1-11(2)16-6-8-17(9-7-16)12-4-5-15-10-13(12)20(18,19)14-3/h4-5,10-11,14H,6-9H2,1-3H3
InChIKeyXDTSIKVFQRRICD-UHFFFAOYSA-N
XLogP0.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide (CID 901903) is N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide is CNS(=O)(=O)c1cnccc1N1CCN(C(C)C)CC1.
What is the InChIKey of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is XDTSIKVFQRRICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-11(2)16-6-8-17(9-7-16)12-4-5-15-10-13(12)20(18,19)14-3/h4-5,10-11,14H,6-9H2,1-3H3.
What are the key properties of N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 901903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).