3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine

C12H19BrN4O2S — CID 102538923

IUPAC3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine
SMILESCCN1CCN(S(=O)(=O)c2cncc(Br)c2NC)CC1
InChIInChI=1S/C12H19BrN4O2S/c1-3-16-4-6-17(7-5-16)20(18,19)11-9-15-8-10(13)12(11)14-2/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyUDOHCJLMGJKFAX-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.21
Rot. Bonds4

About 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine

3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine (PubChem CID 102538923) has the molecular formula C12H19BrN4O2S and a molecular weight of 363.28 g/mol. Its IUPAC name is 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine
PubChem CID102538923
Molecular FormulaC12H19BrN4O2S
Molecular Weight363.28 g/mol
Exact Mass362.04
IUPAC Name3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine
SMILESCCN1CCN(S(=O)(=O)c2cncc(Br)c2NC)CC1
InChIInChI=1S/C12H19BrN4O2S/c1-3-16-4-6-17(7-5-16)20(18,19)11-9-15-8-10(13)12(11)14-2/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyUDOHCJLMGJKFAX-UHFFFAOYSA-N
XLogP1.21
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine?
The IUPAC name of 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine (CID 102538923) is 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine.
What is the SMILES notation for 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine?
The canonical SMILES for 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine is CCN1CCN(S(=O)(=O)c2cncc(Br)c2NC)CC1.
What is the InChIKey of 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine?
The InChIKey is UDOHCJLMGJKFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2S/c1-3-16-4-6-17(7-5-16)20(18,19)11-9-15-8-10(13)12(11)14-2/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine?
3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine has a molecular weight of 363.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-4-amine is sourced from PubChem (CID 102538923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).