N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine

C13H22N4O2S — CID 62148755

IUPACN-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCCN1CCN(S(=O)(=O)c2ccnc(NC)c2)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-6-16-7-9-17(10-8-16)20(18,19)12-4-5-15-13(11-12)14-2/h4-5,11H,3,6-10H2,1-2H3,(H,14,15)
InChIKeySLHGEZQKVXMRIJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.84
Rot. Bonds5

About N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine

N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 62148755) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID62148755
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCCN1CCN(S(=O)(=O)c2ccnc(NC)c2)CC1
InChIInChI=1S/C13H22N4O2S/c1-3-6-16-7-9-17(10-8-16)20(18,19)12-4-5-15-13(11-12)14-2/h4-5,11H,3,6-10H2,1-2H3,(H,14,15)
InChIKeySLHGEZQKVXMRIJ-UHFFFAOYSA-N
XLogP0.84
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.84
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-propylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 62148755) is N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine is CCCN1CCN(S(=O)(=O)c2ccnc(NC)c2)CC1.
What is the InChIKey of N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is SLHGEZQKVXMRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-6-16-7-9-17(10-8-16)20(18,19)12-4-5-15-13(11-12)14-2/h4-5,11H,3,6-10H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 62148755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).